COMPOUND ID	NAME	FORMULA	KEGG	STATUS IN Oh et al model	MODEL IDs	CHARGE	DELTAG (kcal/mol)	DELTAGERR (kcal/mol)														
cpd00001	H2O|Water|HO-|OH-|h2o	H2O	C00001|C01328	h2o	iJR904:h2o|iAO358:cll_9|iAG612:cbs_1:cbs_152|iAF692:h2o|iSB619:h2o|iAF1260:h2o|iIT341:h2o|iAbaylyiv4:WATER|iND750:h2o|iYO844:h2o|iPS189:h2o|iNJ661:h2o|iJN746:h2o	0	-56.69	0.50														
cpd00002	ATP|Adenosine 5'-triphosphate|atp	C10H13N5O13P3	C00002	atp	iJR904:atp|iAO358:cll_0|iAG612:cbs_42:cbs_274|iAF692:atp|iSB619:atp|iAF1260:atp|iIT341:atp|iAbaylyiv4:ATP|iND750:atp|iYO844:atp|iPS189:atp|iNJ661:atp|iJN746:atp	-3	-673.85	3.04														
cpd00003	NAD+|NAD|Nicotinamide adenine dinucleotide|DPN|Diphosphopyridine nucleotide|Nadide|Nicotinamideadeninedinucleotide|nad	C21H26N7O14P2	C00003	nad	iJR904:nad|iAO358:cll_22|iAG612:cbs_35:cbs_61:cbs_150|iAF692:nad|iSB619:nad|iAF1260:nad|iIT341:nad|iAbaylyiv4:NAD|iND750:nad|iYO844:nad|iPS189:nad|iNJ661:nad|iJN746:nad	-1	-529.59	4.36														
cpd00004	NADH|DPNH|Nicotinamide adenine dinucleotide - reduced|Nicotinamideadeninedinucleotide-reduced|nadh	C21H27N7O14P2	C00004	nadh	iJR904:nadh|iAO358:cll_19:cll_23|iAG612:cbs_37|iAF692:nadh|iSB619:nadh|iAF1260:nadh|iIT341:nadh|iAbaylyiv4:NADH|iND750:nadh|iYO844:nadh|iPS189:nadh|iNJ661:nadh|iJN746:nadh	-2	-524.32	4.27														
cpd00005	NADPH|TPNH|Nicotinamide adenine dinucleotide phosphate - reduced|Nicotinamideadeninedinucleotidephosphate-reduced|nadph	C21H27N7O17P3	C00005	nadph	iJR904:nadph|iAO358:cll_61|iAG612:cbs_23:cbs_63|iAF692:nadph|iSB619:nadph|iAF1260:nadph|iIT341:nadph|iAbaylyiv4:NADPH|iND750:nadph|iYO844:nadph|iPS189:nadph|iNJ661:nadph|iJN746:nadph	-3	-736.82	4.26														
cpd00006	NADP+|NADP|Nicotinamide adenine dinucleotide phosphate|beta-Nicotinamide adenine dinucleotide phosphate|TPN|Triphosphopyridine nucleotide|Nicotinamide adenine dinucleotide phosphate -|Nicotinamideadeninedinucleotidephosphate|nadp	C21H26N7O17P3	C00006	nadp	iJR904:nadp|iAO358:cll_63|iAG612:cbs_26|iAF692:nadp|iSB619:nadp|iAF1260:nadp|iIT341:nadp|iAbaylyiv4:NADP|iND750:nadp|iYO844:nadp|iPS189:nadp|iNJ661:nadp|iJN746:nadp	-2	-742.09	4.35														
cpd00007	Oxygen|O2|o2|dioxygen	O2	C00007	o2	iJR904:o2|iAO358:cll_115:cll_291|iAG612:cbs_16:cbs_472|iAF692:o2|iSB619:o2|iAF1260:o2|iIT341:o2|iAbaylyiv4:OXYGEN-MOLECULE|iND750:o2|iYO844:o2|iNJ661:o2|iJN746:o2	0	3.92	0.50														
cpd00008	ADP|Adenosine 5'-diphosphate|adp	C10H13N5O10P2	C00008	adp	iJR904:adp|iAO358:cll_3|iAG612:cbs_44|iAF692:adp|iSB619:adp|iAF1260:adp|iIT341:adp|iAbaylyiv4:ADP|iND750:adp|iYO844:adp|iPS189:adp|iNJ661:adp|iJN746:adp	-2	-465.85	3.04														
cpd00009	Orthophosphate|Phosphate|Phosphoric acid|Orthophosphoric acid|phosphate	HO4P	C00009	pi	iJR904:pi|iAO358:cll_4|iAG612:cbs_27|iAF692:pi|iSB619:pi|iAF1260:pi|iIT341:pi|iAbaylyiv4:PI|iND750:pi|iYO844:pi|iPS189:pi|iNJ661:pi|iJN746:pi	-2	-261.97	0.50														
cpd00010	CoA|Coenzyme A|CoA-SH|CoenzymeA|coA|coenzyme a	C21H33N7O16P3S	C00010	coa	iJR904:coa|iAO358:cll_11|iAG612:cbs_66:cbs_83|iAF692:coa|iSB619:coa|iAF1260:coa|iIT341:coa|iAbaylyiv4:CO-A|iND750:coa|iYO844:coa|iPS189:coa|iNJ661:coa|iJN746:coa	-3	-751.99	3.45														
cpd00011	CO2|Carbon dioxide|co2	CO2	C00011	co2	iJR904:co2|iAO358:cll_2|iAG612:cbs_12|iAF692:co2|iSB619:co2|iAF1260:co2|iIT341:co2|iAbaylyiv4:CARBON-DIOXIDE|iND750:co2|iYO844:co2|iPS189:co2|iNJ661:co2|iJN746:co2	0	-92.26	0.50														
cpd00012	Pyrophosphate|Pyrophosphoric acid|Diphosphate|PPi|diphosphate|pyrophosphate	H2O7P2	C00013	ppi	iJR904:ppi|iAO358:cll_38:cll_324|iAG612:cbs_146|iAF692:ppi|iSB619:ppi|iAF1260:ppi|iIT341:ppi|iAbaylyiv4:PPI|iND750:ppi|iYO844:ppi|iPS189:ppi|iNJ661:ppi|iJN746:ppi	-2	-480.93	0.50														
cpd00013	NH3|Ammonia|Ammonium|NH4+|NH4plus|nh4+	H4N	C00014|C01342	nh4	iJR904:nh4|iAO358:cll_15|iAG612:cbs_3|iAF692:nh4|iSB619:nh4|iAF1260:nh4|iIT341:nh4|iAbaylyiv4:AMMONIUM|iND750:nh4|iYO844:nh4|iPS189:nh4|iNJ661:nh4|iJN746:nh4:nh3	1	-18.97	0.50														
cpd00014	UDP|Uridine 5'-diphosphate|udp	C9H12N2O12P2	C00015	udp	iJR904:udp|iAO358:cll_285|iAG612:cbs_500|iAF692:udp|iSB619:udp|iAF1260:udp|iIT341:udp|iAbaylyiv4:UDP|iND750:udp|iYO844:udp|iPS189:udp|iNJ661:udp|iJN746:udp	-2	-605.77	1.89														
cpd00015	FAD|Flavin adenine dinucleotide|Flavin adenine dinucleotide oxidized|Flavinadeninedinucleotideoxidized|fad	C27H31N9O15P2	C00016	fad	iJR904:fad|iAO358:cll_188|iAG612:cbs_100|iSB619:fad|iAF1260:fad|iIT341:fad|iAbaylyiv4:FAD|iND750:fad|iYO844:fad|iPS189:fad|iNJ661:fad|iJN746:fad	-2	-529.37	5.38														
cpd00017	S-Adenosyl-L-methionine|S-Adenosylmethionine|Acylcarnitine|S-adenosyl-L-methionine|AdoMet|SAM|s-adenosyl-l-methionine	C15H23N6O5S	C00019	amet	iJR904:amet|iAO358:cll_272|iAG612:cbs_223|iAF692:amet|iSB619:amet|iAF1260:amet|iIT341:amet|iAbaylyiv4:S-ADENOSYLMETHIONINE|iND750:amet|iYO844:amet|iPS189:amet|iNJ661:amet|iJN746:amet	1	-66.63	3.68														
cpd00018	AMP|Adenosine 5'-monophosphate|Adenylic acid|Adenylate|5'-AMP|5'-Adenylic acid|5'-Adenosine monophosphate|Adenosine 5'-phosphate|amp	C10H13N5O7P	C00020	amp	iJR904:amp|iAO358:cll_24|iAG612:cbs_145|iAF692:amp|iSB619:amp|iAF1260:amp|iIT341:amp|iAbaylyiv4:AMP|iND750:amp|iYO844:amp|iPS189:amp|iNJ661:amp|iJN746:amp	-1	-257.85	3.03														
cpd00019	S-Adenosyl-L-homocysteine|S-Adenosylhomocysteine|S-adenosyl-L-homocysteine|s-adenosyl-homocysteine	C14H20N6O5S	C00021	ahcys	iJR904:ahcys|iAO358:cll_377|iAG612:cbs_502|iAF692:ahcys|iSB619:ahcys|iAF1260:ahcys|iIT341:ahcys|iAbaylyiv4:ADENOSYL-HOMO-CYS|iND750:ahcys|iYO844:ahcys|iPS189:ahcys|iNJ661:ahcys|iJN746:ahcys	0	-76.11	3.14														
cpd00020	Pyruvate|Pyruvic acid|2-Oxopropanoate|2-Oxopropanoic acid|Pyroracemic acid|pyruvate	C3H3O3	C00022	pyr	iJR904:pyr|iAO358:cll_33|iAG612:cbs_8|iAF692:pyr|iSB619:pyr|iAF1260:pyr|iIT341:pyr|iAbaylyiv4:PYRUVATE|iND750:pyr|iYO844:pyr|iPS189:pyr|iNJ661:pyr|iJN746:pyr	-1	-112.69	0.30														
cpd00022	Acetyl-CoA|Acetyl coenzyme A|acetyl-coA|acetyl-CoA|acetyl-coa	C23H35N7O17P3S	C00024	accoa	iJR904:accoa|iAO358:cll_1|iAG612:cbs_68:cbs_96|iAF692:accoa|iSB619:accoa|iAF1260:accoa|iIT341:accoa|iAbaylyiv4:ACETYL-COA|iND750:accoa|iYO844:accoa|iPS189:accoa|iNJ661:accoa|iJN746:accoa	-3	-785.83	3.53														
cpd00023	L-Glutamate|L-Glutamic acid|L-Glutaminic acid|L-glutamate|GLU|Glutamate|l-glutamate|Glutaminic acid|2-Aminoglutaric acid|glutamate|DL-Glutamate|DL-Glutaminic acid	C5H8NO4	C00025|C00302	glu-L	iJR904:glu-L|iAO358:cll_40:cll_193|iAG612:cbs_36:cbs_344|iAF692:glu-L|iSB619:glu-L|iAF1260:glu-L|iIT341:glu_L|iAbaylyiv4:GLT|iND750:glu-L|iYO844:glu-L|iPS189:glu-L|iNJ661:glu-L|iJN746:glu-L	-1	-164.13	0.38														
cpd00024	2-Oxoglutarate|Oxoglutaric acid|2-Ketoglutaric acid|alpha-Ketoglutaric acid|2-oxoglutarate	C5H4O5	C00026	akg	iJR904:akg|iAO358:cll_42|iAG612:cbs_85|iAF692:akg|iSB619:akg|iAF1260:akg|iIT341:akg|iAbaylyiv4:2-KETOGLUTARATE|iND750:akg|iYO844:akg|iPS189:akg|iNJ661:akg|iJN746:akg	-2	-188.90	0.38														
cpd00025	H2O2|Hydrogen peroxide|Oxydol|Hydrogenperoxide|h2o2	H2O2	C00027	h2o2	iJR904:h2o2|iAO358:cll_217|iAG612:cbs_499|iAF692:h2o2|iSB619:h2o2|iAF1260:h2o2|iIT341:h2o2|iAbaylyiv4:HYDROGEN-PEROXIDE|iND750:h2o2|iYO844:h2o2|iPS189:h2o2|iNJ661:h2o2|iJN746:h2o2	0	-32.05	0.50														
cpd00026	UDP-glucose|UDPglucose|UDP-D-glucose|Uridine diphosphate glucose|UDP-alpha-D-glucose|udp-d-glucose	C15H22N2O17P2	C00029	udpg	iJR904:udpg|iAO358:cll_196|iAG612:cbs_522|iAF692:udpg|iSB619:udpg|iAF1260:udpg|iIT341:udpg|iAbaylyiv4:UDP-GLUCOSE|iND750:udpg|iYO844:udpg|iPS189:udpg|iNJ661:udpg|iJN746:udpg	-2	-762.55	3.12														
cpd00027	D-Glucose|Grape sugar|alpha-D-Glucose|Dextrose|alpha-D-glucose|D-glucose|Glucose|glucose	C6H12O6	C00031|C00267|C00293	glc-D	iJR904:glc-D|iAO358:cll_28:cll_276|iAG612:cbs_40:cbs_47:cbs_346|iAF692:glc-D|iSB619:glc-D|iAF1260:glc-D|iIT341:glc_D|iAbaylyiv4:GLC|iND750:glc-D|iYO844:glc-D|iPS189:glc-D|iNJ661:glc-D|iJN746:glc-D	0	-218.28	1.54														
cpd00028	Heme|Haem|Protoheme|Heme B|Protoheme IX|protoheme	C34H30FeN4O4	C00032	pheme	iIT341:pheme|iJR904:pheme|iAbaylyiv4:PROTOHEME|iAG612:cbs_496|iYO844:pheme|iND750:pheme|iNJ661:pheme|iSB619:pheme|iAF1260:pheme|iJN746:pheme	-2	UNKNOWN	UNKNOWN														
cpd00029	Acetate|Acetic acid|Ethanoic acid|Glacial acetic acid|acetate|ACET	C2H3O2	C00033	ac	iJR904:ac|iAO358:cll_7:cll_439|iAG612:cbs_151|iAF692:ac|iSB619:ac|iAF1260:ac|iIT341:ac|iAbaylyiv4:ACET|iND750:ac|iYO844:ac|iPS189:ac|iNJ661:ac|iJN746:ac	-1	-88.29	0.50														
cpd00030	Manganese|Mn2+|Mn(II)|Mn(III)	Mn	C00034	mn2	iAF692:mn2|iYO844:mn2|iPS189:mn2|iSB619:mn2|iAF1260:mn2	2	UNKNOWN	UNKNOWN														
cpd00031	GDP|Guanosine 5'-diphosphate|Guanosine diphosphate|gdp	C10H13N5O11P2	C00035	gdp	iJR904:gdp|iAO358:cll_210|iAG612:cbs_339|iAF692:gdp|iSB619:gdp|iAF1260:gdp|iIT341:gdp|iAbaylyiv4:GDP|iND750:gdp|iYO844:gdp|iPS189:gdp|iNJ661:gdp|iJN746:gdp	-2	-516.30	2.74														
cpd00032	Oxaloacetate|Oxalacetic acid|Oxaloacetic acid|2-Oxobutanedioic acid|Oxosuccinic acid|keto-Oxaloacetate|oxaloacetate	C4H2O5	C00036	oaa	iJR904:oaa|iAO358:cll_79|iAG612:cbs_89:cbs_225|iAF692:oaa|iSB619:oaa|iAF1260:oaa|iIT341:oaa|iAbaylyiv4:OXALACETIC_ACID|iND750:oaa|iYO844:oaa|iNJ661:oaa|iJN746:oaa	-2	-190.52	0.35														
cpd00033	Glycine|Aminoacetic acid|Gly|glycine	C2H5NO2	C00037	gly	iJR904:gly|iAO358:cll_208|iAG612:cbs_67|iAF692:gly|iSB619:gly|iAF1260:gly|iIT341:gly|iAbaylyiv4:GLY|iND750:gly|iYO844:gly|iPS189:gly|iNJ661:gly|iJN746:gly	0	-87.73	0.24														
cpd00034	Zinc|Zn2+|Zn(II)	Zn	C00038	zn2	iAF692:zn2|iYO844:zn2|iPS189:zn2|iSB619:zn2|iAF1260:zn2	2	UNKNOWN	UNKNOWN														
cpd00035	L-Alanine|L-2-Aminopropionic acid|L-alpha-Alanine|L-alanine|ALA|l-alanine	C3H7NO2	C00041	ala-L	iJR904:ala-L|iAO358:cll_138:cll_441|iAG612:cbs_379|iAF692:ala-L|iSB619:ala-L|iAF1260:ala-L|iIT341:ala_L|iAbaylyiv4:L-ALPHA-ALANINE|iND750:ala-L|iYO844:ala-L|iPS189:ala-L|iNJ661:ala-L|iJN746:ala-L	0	-87.92	0.29														
cpd00036	Succinate|Succinic acid|Butanedionic acid|Ethylenesuccinic acid|succinate	C4H4O4	C00042	succ	iJR904:succ|iAO358:cll_187|iAG612:cbs_9|iAF692:succ|iSB619:succ|iAF1260:succ|iIT341:succ|iAbaylyiv4:SUC|iND750:succ|iYO844:succ|iNJ661:succ|iJN746:succ	-2	-162.96	0.28														
cpd00037	UDP-N-acetyl-D-glucosamine|UDP-N-acetylglucosamine|udp-n-acetyl-d-glucosamine	C17H25N3O17P2	C00043	uacgam	iJR904:uacgam|iAO358:cll_203|iAF692:uacgam|iSB619:uacgam|iAF1260:uacgam|iIT341:uacgam|iAbaylyiv4:UDP-N-ACETYL-D-GLUCOSAMINE|iYO844:uacgam|iPS189:uacgam|iNJ661:uacgam|iJN746:uacgam	-2	-756.90	3.24														
cpd00038	GTP|Guanosine 5'-triphosphate|gtp	C10H13N5O14P3	C00044	gtp	iJR904:gtp|iAO358:cll_183|iAG612:cbs_340|iAF692:gtp|iSB619:gtp|iAF1260:gtp|iIT341:gtp|iAbaylyiv4:GTP|iND750:gtp|iYO844:gtp|iPS189:gtp|iNJ661:gtp|iJN746:gtp	-3	-724.30	2.75														
cpd00039	"L-Lysine|Lysine acid|2,6-Diaminohexanoic acid|L-lysine|Lysine|lysine|l-lysine"	C6H15N2O2	C00047|C16440	lys-L	iJR904:lys-L|iAO358:cll_113:cll_258|iAG612:cbs_431|iAF692:lys-L|iSB619:lys-L|iAF1260:lys-L|iIT341:lys_L|iAbaylyiv4:LYS|iND750:lys-L|iYO844:lys-L|iPS189:lys-L|iNJ661:lys-L|iJN746:lys-L	1	-84.04	0.56														
cpd00040	Glyoxylate|Glyoxalate|Glyoxylic acid|glyoxylate	C2HO3	C00048	glx	iIT341:glx|iJR904:glx|iAbaylyiv4:GLYOX|iAG612:cbs_355|iYO844:glx|iND750:glx|iNJ661:glx|iSB619:glx|iAF1260:glx|iJN746:glx	-1	-111.04	0.27														
cpd00041	L-Aspartate|L-Aspartic acid|2-Aminosuccinic acid|L-aspartate|Aspartate|Aspartic acid|aspartate|l-aspartate	C4H6NO4	C00049|C16433	asp-L	iJR904:asp-L|iAO358:cll_35:cll_444|iAG612:cbs_87:cbs_213:cbs_390|iAF692:asp-L|iSB619:asp-L|iAF1260:asp-L|iIT341:asp_L|iAbaylyiv4:L-ASPARTATE|iND750:asp-L|iYO844:asp-L|iPS189:asp-L|iNJ661:asp-L|iJN746:asp-L	-1	-165.75	0.34														
cpd00042	Glutathione|Reduced glutathione|5-L-Glutamyl-L-cysteinylglycine|N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine|gamma-L-Glutamyl-L-cysteinyl-glycine|GSH|Reducedglutathione|glutathione|reduced glutathione	C10H16N3O6S	C00051	gthrd	iJR904:gthrd|iAO358:cll_216|iAF692:gthrd|iSB619:gthrd|iAF1260:gthrd|iIT341:gthrd|iAbaylyiv4:GLUTATHIONE|iND750:gthrd|iYO844:gthrd|iNJ661:gthrd|iJN746:gthrd	-1	-220.95	1.54														
cpd00043	UDP-D-galactose|UDP-galactose|UDP-D-galactopyranose|UDPgalactose|udp-galactose	C15H22N2O17P2	C00052	udpgal	iJR904:udpgal|iAO358:cll_195|iAG612:cbs_188|iAF692:udpgal|iSB619:udpgal|iAF1260:udpgal|iIT341:udpgal|iAbaylyiv4:UDP-GLACTOSE|iND750:udpgal|iYO844:udpgal|iPS189:udpgal|iNJ661:udpgal	-2	-762.55	3.12														
cpd00044	3'-Phosphoadenylyl sulfate|3'-Phosphoadenosine 5'-phosphosulfate|3'-Phospho-5'-adenylyl sulfate|PAPS|3-Phosphoadenylylsulfate|3-phospho-adenylylsulfate|3-phosphoadenylyl sulfate	C10H12N5O13P2S	C00053	paps	iJR904:paps|iAO358:cll_498|iAG612:cbs_117|iAF692:paps|iSB619:paps|iAF1260:paps|iIT341:paps|iND750:paps|iYO844:paps|iNJ661:paps	-3	-580.35	3.11														
cpd00045	"Adenosine 3',5'-bisphosphate|PAP|3'-Phosphoadenylate|Phosphoadenosine phosphate|adenosine 3',5'-bisphosphate|Adenosine3-5-bisphosphate"	C10H13N5O10P2	C00054	pap	iJR904:pap|iAO358:cll_12|iAF692:pap|iSB619:pap|iAF1260:pap|iIT341:pap|iND750:pap|iYO844:pap|iNJ661:pap	-2	-470.35	3.04														
cpd00046	CMP|Cytidine-5'-monophosphate|Cytidylic acid|cmp	C9H13N3O8P	C00055	cmp	iJR904:cmp|iAO358:cll_124|iAG612:cbs_249|iAF692:cmp|iSB619:cmp|iAF1260:cmp|iIT341:cmp|iAbaylyiv4:CMP|iND750:cmp|iYO844:cmp|iPS189:cmp|iNJ661:cmp|iJN746:cmp	-1	-345.38	1.92														
cpd00047	Formate|Methanoic acid|Formic acid|formate|FORM	CHO2	C00058	for	iJR904:for|iAO358:cll_175:cll_456|iAG612:cbs_17|iAF692:for|iSB619:for|iAF1260:for|iIT341:for|iAbaylyiv4:FORMATE|iND750:for|iYO844:for|iNJ661:for|iJN746:for	-1	-83.90	0.50														
cpd00048	Sulfate|Sulfuric acid|sulfate|SLF	O4S	C00059	so4	iJR904:so4|iAO358:cll_400:cll_401|iAG612:cbs_513|iAF692:so4|iSB619:so4|iAF1260:so4|iIT341:so4|iAbaylyiv4:SULFATE|iND750:so4|iYO844:so4|iPS189:so4|iNJ661:so4|iJN746:so4	-2	-177.97	0.50														
cpd00050	FMN|Riboflavin-5-phosphate|Flavin mononucleotide|flavin mononucleotide|fmn	C17H20N4O9P	C00061	fmn	iJR904:fmn|iAO358:cll_353|iAG612:cbs_516|iAF692:fmn|iSB619:fmn|iAF1260:fmn|iIT341:fmn|iAbaylyiv4:FMN|iND750:fmn|iYO844:fmn|iPS189:fmn|iNJ661:fmn|iJN746:fmn	-1	-323.22	2.87														
cpd00051	L-Arginine|(S)-2-Amino-5-guanidinovaleric acid|L-arginine|l-arginine	C6H15N4O2	C00062	arg-L	iJR904:arg-L|iAO358:cll_53|iAG612:cbs_384|iAF692:arg-L|iSB619:arg-L|iAF1260:arg-L|iIT341:arg_L|iAbaylyiv4:ARG|iND750:arg-L|iYO844:arg-L|iPS189:arg-L|iNJ661:arg-L|iJN746:arg-L	1	-73.77	1.56														
cpd00052	CTP|Cytidine 5'-triphosphate|Cytidine triphosphate|ctp	C9H13N3O14P3	C00063	ctp	iJR904:ctp|iAO358:cll_105|iAG612:cbs_227|iAF692:ctp|iSB619:ctp|iAF1260:ctp|iIT341:ctp|iAbaylyiv4:CTP|iND750:ctp|iYO844:ctp|iPS189:ctp|iNJ661:ctp|iJN746:ctp	-3	-761.38	1.93														
cpd00053	L-Glutamine|L-2-Aminoglutaramic acid|L-glutamine|l-glutamine	C5H10N2O3	C00064	gln-L	iJR904:gln-L|iAO358:cll_78|iAG612:cbs_43:cbs_341|iAF692:gln-L|iSB619:gln-L|iAF1260:gln-L|iIT341:gln_L|iAbaylyiv4:GLN|iND750:gln-L|iYO844:gln-L|iPS189:gln-L|iNJ661:gln-L|iJN746:gln-L	0	-121.69	0.61														
cpd00054	L-Serine|L-2-Amino-3-hydroxypropionic acid|L-3-Hydroxy-alanine|L-serine|Serine|l-serine|2-Amino-3-hydroxypropionic acid|3-Hydroxyalanine|serine|DL-Serine	C3H7NO3	C00065|C00716	ser-L	iJR904:ser-L|iAO358:cll_135:cll_488|iAG612:cbs_163:cbs_444|iAF692:ser-L|iSB619:ser-L|iAF1260:ser-L|iIT341:ser_L|iAbaylyiv4:SER|iND750:ser-L|iYO844:ser-L|iPS189:ser-L|iNJ661:ser-L|iJN746:ser-L	0	-124.15	0.31														
cpd00055	Formaldehyde|Methanal|Oxomethane|Oxomethylene|Methylene oxide|Formalin|formaldehyde	CH2O	C00067	fald	iAbaylyiv4:FORMALDEHYDE|iAF692:fald|iYO844:fald|iND750:fald|iNJ661:fald|iSB619:fald|iAF1260:fald|iJN746:fald	0	-31.20	0.50														
cpd00056	Thiamin diphosphate|Thiamine diphosphate|Thiamin pyrophosphate|TPP|ThPP|Thiaminediphosphate	C12H17N4O7P2S	C00068	thmpp	iJR904:thmpp|iAF692:thmpp|iSB619:thmpp|iAF1260:thmpp|iIT341:thmpp|iAbaylyiv4:THIAMINE-PYROPHOSPHATE|iND750:thmpp|iYO844:thmpp|iPS189:thmpp|iNJ661:thmpp	-1	-368.32	2.57														
cpd00058	Copper2|Cu2+|Cu(II)|Cu(II)|Copper1|Cu1+|Cu(I)|Cu+|Copper	Cu	C00070	cu2	iAF692:cu2|iYO844:cu2|iPS189:cu2|iNJ661:cu2|iSB619:cu2|iAF1260:cu:cu2	2	UNKNOWN	UNKNOWN														
cpd00060	L-Methionine|Methionine|L-2-Amino-4methylthiobutyric acid|2-Amino-4-(methylthio)butyric acid|L-methionine|methionine|l-methionine	C5H11NO2S	C00073|C01733	met-L	iJR904:met-L|iAO358:cll_48:cll_472|iAG612:cbs_88:cbs_473|iAF692:met-L|iSB619:met-L|iAF1260:met-L|iIT341:met_L|iAbaylyiv4:MET|iND750:met-L|iYO844:met-L|iPS189:met-L|iNJ661:met-L|iJN746:met-L	0	-75.91	0.82														
cpd00061	Phosphoenolpyruvate|Phosphoenolpyruvic acid|PEP|phosphoenolpyruvate	C3H3O6P	C00074	pep	iJR904:pep|iAO358:cll_67|iAG612:cbs_107|iAF692:pep|iSB619:pep|iAF1260:pep|iIT341:pep|iAbaylyiv4:PHOSPHO-ENOL-PYRUVATE|iND750:pep|iYO844:pep|iPS189:pep|iNJ661:pep|iJN746:pep	-2	-316.08	0.59														
cpd00062	UTP|Uridine 5'-triphosphate|Uridine triphosphate|utp	C9H12N2O15P3	C00075	utp	iJR904:utp|iAO358:cll_200|iAG612:cbs_187|iAF692:utp|iSB619:utp|iAF1260:utp|iIT341:utp|iAbaylyiv4:UTP|iND750:utp|iYO844:utp|iPS189:utp|iNJ661:utp|iJN746:utp	-3	-813.77	1.90														
cpd00063	Calcium|Ca2+|Ca(2+)	Ca	C00076	ca2	iAG612:cbs_246|iAF692:ca2|iYO844:ca2|iPS189:ca2|iNJ661:ca2|iAF1260:ca2	2	UNKNOWN	UNKNOWN														
cpd00064	"L-Ornithine|(S)-2,5-Diaminovaleric acid|(S)-2,5-Diaminopentanoic acid|(S)-2,5-Diaminopentanoate|Ornithine|2,5-Diaminovaleric acid|2,5-Diaminopentanoic acid|2,5-Diaminopentanoate|L-ornithine|ornithine|l-ornithine"	C5H13N2O2	C00077|C01602	orn-L	iJR904:orn|iAO358:cll_57:cll_58|iAG612:cbs_242|iAF692:orn|iSB619:orn|iAF1260:orn|iIT341:orn|iAbaylyiv4:L-ORNITHINE|iND750:orn|iYO844:orn-L|iPS189:orn-L|iNJ661:orn|iJN746:orn	1	-85.66	0.51														
cpd00065	L-Tryptophan|Tryptophan|(S)-alpha-Amino-beta-(3-indolyl)-propionic acid|alpha-Amino-beta-(3-indolyl)-propionic acid|L-tryptophan|tryptophan|l-tryptophan	C11H12N2O2	C00078|C00806	trp-L	iJR904:trp-L|iAO358:cll_46:cll_493|iAG612:cbs_447:cbs_521|iAF692:trp-L|iSB619:trp-L|iAF1260:trp-L|iIT341:trp_L|iAbaylyiv4:TRP|iND750:trp-L|iYO844:trp-L|iPS189:trp-L|iNJ661:trp-L|iJN746:trp-L	0	-25.00	1.58														
cpd00066	L-Phenylalanine|(S)-alpha-Amino-beta-phenylpropionic acid|L-phenylalanine|l-phenylalanine	C9H11NO2	C00079	phe-L	iJR904:phe-L|iAO358:cll_43|iAG612:cbs_437|iAF692:phe-L|iSB619:phe-L|iAF1260:phe-L|iIT341:phe_L|iAbaylyiv4:PHE|iND750:phe-L|iYO844:phe-L|iPS189:phe-L|iNJ661:phe-L|iJN746:phe-L	0	-51.05	0.83														
cpd00067	H+|h+	H	C00080	h	iJR904:h|iAO358:cll_20|iAG612:cbs_24|iAF692:h|iSB619:h|iAF1260:h|iIT341:h|iAbaylyiv4:PROTON|iND750:h|iYO844:h|iPS189:h|iNJ661:h|iJN746:h	1	-9.53	0.00														
cpd00068	ITP|Inosine 5'-triphosphate|Inosine triphosphate|Inosine tripolyphosphate	C10H12N4O14P3	C00081	itp	iJR904:itp|iAG612:cbs_367|iAF692:itp|iSB619:itp|iAF1260:itp|iND750:itp|iYO844:itp|iPS189:itp|iNJ661:itp	-3	-729.58	2.75														
cpd00069	L-Tyrosine|(S)-3-(p-Hydroxyphenyl)alanine|(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid|L-tyrosine|Tyrosine|l-tyrosine|3-(p-Hydroxyphenyl)alanine|2-Amino-3-(p-hydroxyphenyl)propionic acid|tyrosine|DL-Tyrosine	C9H11NO3	C00082|C01536	tyr-L	iJR904:tyr-L|iAO358:cll_41:cll_494|iAG612:cbs_126|iAF692:tyr-L|iSB619:tyr-L|iAF1260:tyr-L|iIT341:tyr_L|iAbaylyiv4:TYR|iND750:tyr-L|iYO844:tyr-L|iPS189:tyr-L|iNJ661:tyr-L|iJN746:tyr-L	0	-90.53	0.90														
cpd00070	Malonyl-CoA|Malonyl coenzyme A|malonyl-CoA|malonyl-coa	C24H34N7O19P3S	C00083	malcoa	iJR904:malcoa|iAO358:cll_5|iAG612:cbs_158|iSB619:malcoa|iAF1260:malcoa|iIT341:malcoa|iAbaylyiv4:MALONYL-COA|iND750:malcoa|iYO844:malcoa|iNJ661:malcoa|iJN746:malcoa	-4	-863.66	3.54														
cpd00071	Acetaldehyde|Ethanal|acetaldehyde|AALD	C2H4O	C00084	acald	iJR904:acald|iAO358:cll_18:cll_438|iAG612:cbs_149|iAF692:acald|iSB619:acald|iAF1260:acald|iIT341:acald|iAbaylyiv4:ACETALD|iND750:acald|iYO844:acald|iPS189:acald|iNJ661:acald|iJN746:acald	0	-33.40	0.50														
cpd00072	D-Fructose 6-phosphate|D-Fructose 6-phosphoric acid|Neuberg ester|beta-D-Fructose 6-phosphate|D-Fructose6-phosphate|D-fructose-6-phosphate|D-fructose 6-phosphate	C6H12O9P	C00085|C05345	f6p	iJR904:f6p|iAO358:cll_171|iAG612:cbs_190:cbs_286|iAF692:f6p|iSB619:f6p|iAF1260:f6p|iIT341:f6p|iAbaylyiv4:FRUCTOSE-6P|iND750:f6p:f6p-B|iYO844:f6p|iPS189:f6p|iNJ661:f6p|iJN746:f6p	-1	-431.67	1.31														
cpd00073	Urea|Carbamide|urea	CH4N2O	C00086	urea	iJR904:urea|iAG612:cbs_181|iAF692:urea|iSB619:urea|iAF1260:urea|iIT341:urea|iAbaylyiv4:UREA|iND750:urea|iYO844:urea|iNJ661:urea|iJN746:urea	0	-48.70	0.50														
cpd00074	"Sulfur|S|Sulfur, precipitated"	S	C00087	s	iAF692:s|iYO844:s|iND750:s|iNJ661:s|iSB619:s|iAF1260:s	0	0.00	0.50														
cpd00075	Nitrite|nitrite	NO2	C00088	no2	iJR904:no2|iAG612:cbs_483|iAF692:no2|iSB619:no2|iAF1260:no2|iIT341:no2|iAbaylyiv4:NITRITE|iYO844:no2|iNJ661:no2|iJN746:no2	-1	-8.90	0.50														
cpd00076	Sucrose|Cane sugar|Saccharose|1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside|sucrose|SUCR	C12H22O11	C00089	sucr	iJR904:sucr|iAO358:cll_29:cll_408|iAG612:cbs_361:cbs_512|iYO844:sucr|iND750:sucr|iPS189:sucr|iSB619:sucr|iAF1260:sucr	0	-377.65	2.77														
cpd00077	"Catechol|1,2-Benzenediol|o-Benzenediol|1,2-Dihydroxybenzene|Brenzcatechin|Pyrocatechol|catechol"	C6H6O2	C00090|C15571	NOT IN MODEL	iAbaylyiv4:CATECHOL|iJN746:catechol	0	-49.38	0.88														
cpd00078	Succinyl-CoA|Succinyl coenzyme A|succinyl-CoA|succinyl-coa	C25H36N7O19P3S	C00091	succoa	iJR904:succoa|iAO358:cll_268|iAG612:cbs_105|iAF692:succoa|iSB619:succoa|iAF1260:succoa|iIT341:succoa|iAbaylyiv4:SUC-COA|iND750:succoa|iYO844:succoa|iPS189:succoa|iNJ661:succoa|iJN746:succoa	-4	-862.04	3.56														
cpd00079	D-Glucose 6-phosphate|Glucose 6-phosphate|Robison ester|alpha-D-Glucose 6-phosphate|D-Glucose6-phosphate|alpha-D-glucose-6-phosphate|D-glucose-6-phosphate|D-glucose 6-phosphate|glucose-6-phosphate	C6H12O9P	C00092|C00668	g6p	iJR904:g6p|iAO358:cll_85|iAG612:cbs_189:cbs_208:cbs_300|iAF692:g6p|iSB619:g6p|iAF1260:g6p|iIT341:g6p|iND750:g6p|iYO844:g6p|iPS189:g6p|iNJ661:g6p|iJN746:g6p	-1	-430.78	1.51														
cpd00080	sn-Glycerol 3-phosphate|Glycerophosphoric acid|sn-Gro-1-P|Glycerol-3-phosphate|Glycerol 3-phosphate|Glycerol3-phosphate|glycerol-3-phosphate|glycerol 3-phosphate|GLYC-3-P|D-Glycerol 1-phosphate|Glycerol 1-phosphate|sn-Glycerol 1-phosphate|L-Glycerol 1-phosphate	C3H8O6P	C00093|C00623	glyc3p	iJR904:glyc3p|iAO358:cll_206:cll_207|iAG612:cbs_342|iAF692:glyc1p|iSB619:glyc3p|iAF1260:glyc3p|iIT341:glyc3p|iAbaylyiv4:GLYCEROL-3P|iND750:glyc3p|iYO844:glyc3p|iPS189:glyc3p|iNJ661:glyc3p|iJN746:glyc3p	-1	-328.68	0.38														
cpd00081	Sulfite|Hydrogen sulfite|HSO3-|Sulfite (HSO3)-|Bisulfite|sulfite|H2SO3	HO3S	C00094|C11481	so3	iJR904:so3|iAO358:cll_499|iAG612:cbs_120|iAF692:so3|iSB619:so3|iAF1260:so3|iIT341:so3|iAbaylyiv4:SO3|iND750:so3|iYO844:so3|iNJ661:so3|iJN746:so3	-1	-126.15	0.50														
cpd00082	D-Fructose|Levulose|Fruit sugar|D-arabino-Hexulose|beta-D-Fructose|beta-Fruit sugar|beta-D-arabino-Hexulose|beta-Levulose|Fructose|arabino-Hexulose|D-fructose|fructose	C6H12O6	C00095|C01496|C02336|C10906	fru	iJR904:fru|iAO358:cll_30:cll_190|iAG612:cbs_288:cbs_332|iAF692:fru|iSB619:fru|iAF1260:fru|iAbaylyiv4:FRU|iND750:fru|iYO844:fru|iPS189:fru|iJN746:fru	0	-219.17	1.36														
cpd00084	L-Cysteine|L-2-Amino-3-mercaptopropionic acid|L-cysteine|l-cysteine	C3H7NO2S	C00097	cys-L	iJR904:cys-L|iAO358:cll_137|iAG612:cbs_395|iAF692:cys-L|iSB619:cys-L|iAF1260:cys-L|iIT341:cys_L|iAbaylyiv4:CYS|iND750:cys-L|iYO844:cys-L|iPS189:cys-L|iNJ661:cys-L|iJN746:cys-L	0	-83.39	0.70														
cpd00085	beta-Alanine|3-Aminopropionic acid|3-Aminopropanoate|beta-alanine	C3H7NO2	C00099	ala-B	iJR904:ala-B|iAG612:cbs_393|iAF692:ala-B|iSB619:ala-B|iAF1260:ala-B|iIT341:ala_B|iAbaylyiv4:B-ALANINE|iND750:ala-B|iYO844:ala-B|iNJ661:ala-B|iJN746:ala-B	0	-86.11	0.29														
cpd00086	Propanoyl-CoA|Propionyl-CoA|Propionyl coenzyme A|propionyl-CoA|propionyl-coa	C24H37N7O17P3S	C00100	ppcoa	iJR904:ppcoa|iAG612:cbs_97:cbs_495|iAF692:ppcoa|iAF1260:ppcoa|iAbaylyiv4:PROPIONYL-COA|iND750:ppcoa|iYO844:ppcoa|iNJ661:ppcoa|iPS189:ppcoa|iJN746:ppcoa	-3	-784.21	3.55														
cpd00087	"Tetrahydrofolate|5,6,7,8-Tetrahydrofolate|Tetrahydrofolic acid|THF|(6S)-Tetrahydrofolate|(6S)-Tetrahydrofolic acid|(6S)-THFA|tetrahydrofolate|5-6-7-8-Tetrahydrofolate|thf"	C19H21N7O6	C00101	thf	iJR904:thf|iAO358:cll_156|iAG612:cbs_30|iAF692:thf|iSB619:thf|iAF1260:thf|iIT341:thf|iAbaylyiv4:THF|iND750:thf|iYO844:thf|iPS189:thf|iNJ661:thf|iJN746:thf	-2	-113.97	3.02														
cpd00089	D-Glucose 1-phosphate|alpha-D-Glucose 1-phosphate|Cori ester|D-Glucose alpha-1-phosphate|alpha-D-Glucose-1-phosphate|D-Glucose1-phosphate|alpha-D-glucose-1-phosphate|D-glucose-1-phosphate|D-glucose 1-phosphate	C6H12O9P	C00103	g1p	iJR904:g1p|iAO358:cll_172|iAG612:cbs_39:cbs_46|iAF692:g1p|iSB619:g1p|iAF1260:g1p|iIT341:g1p|iAbaylyiv4:GLC-1-P|iND750:g1p|iYO844:g1p|iPS189:g1p|iNJ661:g1p|iJN746:g1p	-1	-430.78	1.51														
cpd00090	IDP|Inosine 5'-diphosphate|Inosine diphosphate	C10H12N4O11P2	C00104	idp	iJR904:idp|iAG612:cbs_366|iAF692:idp|iSB619:idp|iAF1260:idp|iND750:idp|iYO844:idp|iPS189:idp|iNJ661:idp	-2	-521.58	2.75														
cpd00091	UMP|Uridylic acid|Uridine monophosphate|Uridine 5'-monophosphate|5'Uridylic acid|ump	C9H12N2O9P	C00105	ump	iJR904:ump|iAO358:cll_274|iAG612:cbs_487|iAF692:ump|iSB619:ump|iAF1260:ump|iIT341:ump|iAbaylyiv4:UMP|iND750:ump|iYO844:ump|iPS189:ump|iNJ661:ump|iJN746:ump	-1	-397.77	1.88														
cpd00092	Uracil|uracil	C4H4N2O2	C00106	ura	iJR904:ura|iAO358:cll_343:cll_344|iAG612:cbs_523|iAF692:ura|iSB619:ura|iAF1260:ura|iIT341:ura|iAbaylyiv4:URACIL|iND750:ura|iYO844:ura|iPS189:ura|iNJ661:ura|iJN746:ura	0	-61.07	1.54														
cpd00093	Anthranilate|Anthranilic acid|o-Aminobenzoic acid|Vitamin L1|2-Aminobenzoate|anthranilate|2-aminobenzoate	C7H6NO2	C00108	anth	iJR904:anth|iAO358:cll_374|iAG612:cbs_201|iAF692:anth|iSB619:anth|iAF1260:anth|iIT341:anth|iAbaylyiv4:ANTHRANILATE|iND750:anth|iYO844:anth|iNJ661:anth|iJN746:anth	-1	-48.99	0.95														
cpd00094	2-Oxobutanoate|2-Ketobutyric acid|2-Oxobutyric acid|2-Oxobutyrate|2-Oxobutanoic acid|alpha-Ketobutyric acid|alpha-Ketobutyrate|2-oxobutanoate	C4H5O3	C00109	2obut	iJR904:2obut|iAO358:cll_234|iAG612:cbs_2|iAF692:2obut|iSB619:2obut|iAF1260:2obut|iIT341:2obut|iAbaylyiv4:2-OXOBUTANOATE|iND750:2obut|iYO844:2obut|iNJ661:2obut|iJN746:2obut	-1	-111.07	0.31														
cpd00095	Glycerone phosphate|Dihydroxyacetone phosphate|Dihydroxyacetonephosphate|glycerone-phosphate|glycerone phosphate|dihydroxy-acetone-phosphate	C3H6O6P	C00111	dhap	iJR904:dhap|iAO358:cll_170|iAG612:cbs_74|iAF692:dhap|iSB619:dhap|iAF1260:dhap|iIT341:dhap|iAbaylyiv4:DIHYDROXY-ACETONE-PHOSPHATE|iND750:dhap|iYO844:dhap|iPS189:dhap|iNJ661:dhap|iJN746:dhap	-1	-320.66	0.32														
cpd00096	CDP|Cytidine 5'-diphosphate|Cytidine diphosphate|cdp	C9H13N3O11P2	C00112	cdp	iJR904:cdp|iAO358:cll_125|iAG612:cbs_243|iAF692:cdp|iSB619:cdp|iAF1260:cdp|iIT341:cdp|iAbaylyiv4:CDP|iND750:cdp|iYO844:cdp|iPS189:cdp|iNJ661:cdp|iJN746:cdp	-2	-553.38	1.92														
cpd00098	Choline|Bilineurine|choline	C5H14NO	C00114	chol	iJR904:chol|iAO358:cll_118|iSB619:chol|iAF1260:chol|iAbaylyiv4:CHOLINE|iND750:chol|iYO844:chol|iPS189:chol|iNJ661:chol|iJN746:chol	1	12.19	1.97														
cpd00099	Chloride|HCl|Cl-|Chloride ion|Hydrochloric acid|Hydrogen chloride|Hydrochloride	Cl	C00115|C00698|C01327	NOT IN MODEL	iAF692:cl|iPS189:cl|iNJ661:cl|iAF1260:cl	-1	UNKNOWN	UNKNOWN														
cpd00100	"Glycerol|Glycerin|1,2,3-Trihydroxypropane|1,2,3-Propanetriol|glycerol|GLYC"	C3H8O3	C00116	glyc	iJR904:glyc|iAO358:cll_123:cll_205|iAG612:cbs_343|iAF692:glyc|iSB619:glyc|iAF1260:glyc|iIT341:glyc|iAbaylyiv4:GLYCEROL|iND750:glyc|iYO844:glyc|iPS189:glyc|iNJ661:glyc|iJN746:glyc	0	-116.18	0.44														
cpd00101	D-Ribose 5-phosphate|Ribose 5-phosphate|alpha-D-Ribose 5-phosphate|alpha-D-Ribose5-phosphate|D-ribose-5-phosphate|D-ribose 5-phosphate|ribose-5-phosphate	C5H10O8P	C00117|C03736	r5p	iJR904:r5p|iAO358:cll_146|iAG612:cbs_311:cbs_312|iAF692:r5p|iSB619:r5p|iAF1260:r5p|iIT341:r5p|iAbaylyiv4:RIBOSE-5P|iND750:r5p|iYO844:r5p|iPS189:r5p|iNJ661:r5p|iJN746:r5p	-1	-394.12	1.32														
cpd00102	(2R)-2-Hydroxy-3-(phosphonooxy)-propanal|D-Glyceraldehyde 3-phosphate|Glyceraldehyde 3-phosphate|Glyceraldehyde3-phosphate|D-glyceraldehyde-3-phosphate|D-glyceraldehyde 3-phosphate|Glyceraldehyde-3-phosphate|glyceraldehyde-3-phosphate	C3H6O6P	C00118|C16670	g3p	iJR904:g3p|iAO358:cll_148|iAG612:cbs_25:cbs_287|iAF692:g3p|iSB619:g3p|iAF1260:g3p|iIT341:g3p|iAbaylyiv4:GAP|iND750:g3p|iYO844:g3p|iPS189:g3p|iNJ661:g3p|iJN746:g3p	-1	-319.20	0.31														
cpd00103	5-Phospho-alpha-D-ribose 1-diphosphate|5-Phosphoribosyl diphosphate|5-Phosphoribosyl 1-pyrophosphate|PRPP|5-Phospho-alpha-D-ribose1-diphosphate|5-phosphoribosyl-1-pyrophosphate|5-phospho-alpha-D-ribose 1-diphosphate|prpp	C5H10O14P3	C00119	prpp	iJR904:prpp|iAO358:cll_37|iAG612:cbs_172|iAF692:prpp|iSB619:prpp|iAF1260:prpp|iIT341:prpp|iAbaylyiv4:PRPP|iND750:prpp|iYO844:prpp|iPS189:prpp|iNJ661:prpp|iJN746:prpp	-3	-814.62	1.32														
cpd00104	Biotin|D-Biotin|Vitamin H|Coenzyme R|BIOT|biotin	C10H15N2O3S	C00120	btn	iJR904:btn|iAO358:cll_446:cll_447|iAF692:btn|iSB619:btn|iAF1260:btn|iIT341:btn|iAbaylyiv4:BIOTIN|iND750:btn|iYO844:btn|iNJ661:btn	-1	-109.02	2.21														
cpd00105	D-Ribose|D-ribose	C5H10O5	C00121	rib-D	iJR904:rib-D|iAO358:cll_347|iAG612:cbs_310|iAF692:rib-D|iSB619:rib-D|iAF1260:rib-D|iIT341:rib_D|iAbaylyiv4:RIBOSE|iND750:rib-D|iYO844:rib-D|iPS189:rib-D|iNJ661:rib-D|iJN746:rib-D	0	-181.62	1.35														
cpd00106	Fumarate|Fumaric acid|trans-Butenedioic acid|fumarate	C4H2O4	C00122	fum	iJR904:fum|iAO358:cll_66|iAG612:cbs_138|iAF692:fum|iSB619:fum|iAF1260:fum|iIT341:fum|iAbaylyiv4:FUM|iND750:fum|iYO844:fum|iNJ661:fum|iJN746:fum	-2	-143.70	0.72														
cpd00107	L-Leucine|2-Amino-4-methylvaleric acid|(2S)-alpha-2-Amino-4-methylvaleric acid|(2S)-alpha-Leucine|L-leucine|l-leucine	C6H13NO2	C00123	leu-L	iJR904:leu-L|iAO358:cll_50|iAG612:cbs_90|iAF692:leu-L|iSB619:leu-L|iAF1260:leu-L|iIT341:leu_L|iAbaylyiv4:LEU|iND750:leu-L|iYO844:leu-L|iPS189:leu-L|iNJ661:leu-L|iJN746:leu-L	0	-84.87	0.45														
cpd00108	D-Galactose|D-galactose|GALC	C6H12O6	C00124	gal	iJR904:gal|iAO358:cll_197:cll_457|iAG612:cbs_292|iAF1260:gal|iIT341:gal|iND750:gal|iYO844:gal|iNJ661:gal|iPS189:gal	0	-218.28	1.54														
cpd00109	Ferricytochrome c|Cytochrome c3+	C42H52FeN8O6S2	C00125	ficytc	iYO844:ficytc|iND750:ficytc|iNJ661:ficytc|iJN746:ficytc	5	UNKNOWN	UNKNOWN														
cpd00110	Ferrocytochrome c|Cytochrome c2+|Reduced cytochrome c	C42H52FeN8O6S2	C00126	focytc	iYO844:focytc|iND750:focytc|iNJ661:focytc|iJN746:focytc	4	UNKNOWN	UNKNOWN														
cpd00111	Glutathione disulfide|GSSG|Oxiglutatione|Oxidized glutathione|oxidized glutathione|Oxidized glutathione glucose substituted	C20H30N6O12S2	C00127	gthox	iJR904:gthox|iAO358:cll_218|iAF692:gthox|iSB619:gthox|iAF1260:gthox|iAbaylyiv4:OXIDIZED-GLUTATHIONE|iND750:gthox|iYO844:gthox|iNJ661:gthox|iJN746:gthox	-2	-434.73	3.06														
cpd00112	CMP-N-acetylneuraminate	C20H29N4O16P	C00128	NOT IN MODEL		-2	-610.28	3.06														
cpd00113	Isopentenyl diphosphate|delta3-Isopentenyl diphosphate|delta3-Methyl-3-butenyl diphosphate|Isopentenyldiphosphate|isopentenyl diphosphate	C5H10O7P2	C00129	ipdp	iJR904:ipdp|iAO358:cll_240|iAF692:ipdp|iSB619:ipdp|iAF1260:ipdp|iIT341:ipdp|iAbaylyiv4:DELTA(3)-ISOPENTENYL-PP|iND750:ipdp|iYO844:ipdp|iNJ661:ipdp|iJN746:ipdp	-2	-439.84	0.58														
cpd00114	IMP|Inosinic acid|Inosine monophosphate|Inosine 5'-monophosphate|Inosine 5'-phosphate|5'-Inosinate|5'-Inosinic acid|5'-Inosine monophosphate|5'-IMP|imp	C10H12N4O8P	C00130	imp	iJR904:imp|iAO358:cll_220|iAG612:cbs_133|iAF692:imp|iSB619:imp|iAF1260:imp|iIT341:imp|iAbaylyiv4:IMP|iND750:imp|iYO844:imp|iPS189:imp|iNJ661:imp|iJN746:imp	-1	-313.58	2.74														
cpd00115	dATP|2'-Deoxyadenosine 5'-triphosphate|Deoxyadenosine 5'-triphosphate|Deoxyadenosine triphosphate|datp	C10H13N5O12P3	C00131	datp	iJR904:datp|iAO358:cll_293|iAG612:cbs_261|iAF692:datp|iSB619:datp|iAF1260:datp|iIT341:datp|iAbaylyiv4:DATP|iND750:datp|iYO844:datp|iPS189:datp|iNJ661:datp|iJN746:datp	-3	-634.01	2.99														
cpd00116	Methanol|Methyl alcohol	CH4O	C00132	meoh	iAF692:meoh|iYO844:meoh|iNJ661:meoh|iSB619:meoh	0	-41.90	0.50														
cpd00117	D-Alanine|D-2-Aminopropionic acid|D-Ala|D-alanine|d-alanine	C3H7NO2	C00133	ala-D	iJR904:ala-D|iAO358:cll_139|iAG612:cbs_382|iSB619:ala-D|iAF1260:ala-D|iIT341:ala_D|iAbaylyiv4:D-ALANINE|iYO844:ala-D|iNJ661:ala-D|iJN746:ala-D	0	-87.92	0.29														
cpd00118	"Putrescine|1,4-Butanediamine|1,4-Diaminobutane|Tetramethylenediamine|putrescine|PUTR"	C4H14N2	C00134	ptrc	iJR904:ptrc|iAO358:cll_320:cll_321|iAG612:cbs_182|iAF692:ptrc|iSB619:ptrc|iAF1260:ptrc|iIT341:ptrc|iAbaylyiv4:PUTRESCINE|iND750:ptrc|iYO844:ptrc|iPS189:ptrc|iNJ661:ptrc|iJN746:ptrc	2	-6.02	0.53														
cpd00119	L-Histidine|(S)-alpha-Amino-1H-imidazole-4-propionic acid|L-histidine|l-histidine	C6H9N3O2	C00135	his-L	iJR904:his-L|iAO358:cll_227|iAG612:cbs_413|iAF692:his-L|iSB619:his-L|iAF1260:his-L|iIT341:his_L|iAbaylyiv4:HIS|iND750:his-L|iYO844:his-L|iPS189:his-L|iNJ661:his-L|iJN746:his-L	0	-45.63	1.13														
cpd00120	Butanoyl-CoA|Butyryl-CoA|butanoyl-coa	C25H39N7O17P3S	C00136	btcoa	iJR904:btcoa|iAbaylyiv4:BUTYRYL-COA|iYO844:btcoa|iPS189:btcoa|iSB619:btcoa|iAF1260:btcoa|iJN746:btcoa	-3	-782.59	3.56														
cpd00121	myo-Inositol|D-myo-Inositol|1D-myo-Inositol|L-myo-Inositol|1L-myo-Inositol|meso-Inositol|Inositol|Dambose|Cyclohexitol|Meat sugar|Bios I|L-Inositol|(-)-Inositol|inositol	C6H12O6	C00137|C06151	inost	iJR904:inost|iAG612:cbs_372:cbs_373|iAF692:inost|iSB619:inost|iAF1260:inost|iND750:inost|iYO844:inost|iPS189:inost|iNJ661:inost	0	-219.96	1.50														
cpd00122	N-Acetyl-D-glucosamine|N-Acetylchitosamine|2-Acetamido-2-deoxy-D-glucose|GlcNAc	C8H15NO6	C00140	acgam	iJR904:acgam|iYO844:acgam|iPS189:acgam|iNJ661:acgam|iSB619:acgam|iAF1260:acgam	0	-212.63	1.63														
cpd00123	3-Methyl-2-oxobutanoic acid|3-Methyl-2-oxobutyric acid|3-Methyl-2-oxobutanoate|2-Oxo-3-methylbutanoate|2-Oxoisovalerate|2-Oxoisopentanoate|alpha-Ketovaline|2-Ketovaline|2-Keto-3-methylbutyric acid|3-methyl-2-oxobutanoate|3MOB|2-keto-isovalerate	C5H7O3	C00141	3mob	iJR904:3mob|iAO358:cll_83:cll_435|iAG612:cbs_54|iAF692:3mob|iSB619:3mob|iAF1260:3mob|iIT341:3mob|iAbaylyiv4:2-KETO-ISOVALERATE|iND750:3mob|iYO844:3mob|iNJ661:3mob|iJN746:3mob	-1	-111.26	0.39														
cpd00125	"5,10-Methylenetetrahydrofolate|(6R)-5,10-Methylenetetrahydrofolate|5,10-Methylene-THF|5,10-methylenetetrahydrofolate|5-10-Methylenetetrahydrofolate|5,10-methylene-thf"	C20H21N7O6	C00143	mlthf	iJR904:mlthf|iAO358:cll_182|iAG612:cbs_321:cbs_509|iAF692:mlthf|iSB619:mlthf|iAF1260:mlthf|iIT341:mlthf|iAbaylyiv4:METHYLENE-THF|iND750:mlthf|iYO844:mlthf|iPS189:mlthf|iNJ661:mlthf|iJN746:mlthf	-2	-93.65	3.09														
cpd00126	GMP|Guanosine 5'-phosphate|Guanosine monophosphate|Guanosine 5'-monophosphate|Guanylic acid|gmp	C10H13N5O8P	C00144	gmp	iJR904:gmp|iAO358:cll_209|iAG612:cbs_229|iAF692:gmp|iSB619:gmp|iAF1260:gmp|iIT341:gmp|iAbaylyiv4:GMP|iND750:gmp|iYO844:gmp|iPS189:gmp|iNJ661:gmp|iJN746:gmp	-1	-308.30	2.74														
cpd00128	Adenine|6-Aminopurine|adenine	C5H5N5	C00147	ade	iJR904:ade|iAO358:cll_36|iAG612:cbs_171|iAF692:ade|iSB619:ade|iAF1260:ade|iIT341:ade|iAbaylyiv4:ADENINE|iND750:ade|iYO844:ade|iPS189:ade|iNJ661:ade|iJN746:ade	0	78.85	2.73														
cpd00129	L-Proline|2-Pyrrolidinecarboxylic acid|L-proline|l-proline	C5H8NO2	C00148	pro-L	iJR904:pro-L|iAO358:cll_323|iAG612:cbs_38|iAF692:pro-L|iSB619:pro-L|iAF1260:pro-L|iIT341:pro_L|iAbaylyiv4:PRO|iND750:pro-L|iYO844:pro-L|iPS189:pro-L|iNJ661:pro-L|iJN746:pro-L	-1	-62.54	0.94														
cpd00130	(S)-Malate|L-Malate|L-Apple acid|L-Malic acid|L-2-Hydroxybutanedioic acid|(S)-malate|MALA|Malate|Malic acid|2-Hydroxybutanedioic acid|malate	C4H4O5	C00149|C00711	mal-L	iJR904:mal-L|iAO358:cll_259:cll_260|iAG612:cbs_336|iAF692:mal-L|iSB619:mal-L|iAF1260:mal-L|iIT341:mal_L|iAbaylyiv4:MAL|iND750:mal-L|iYO844:mal-L|iNJ661:mal-L|iJN746:mal-L	-2	-201.00	0.31														
cpd00132	L-Asparagine|2-Aminosuccinamic acid|L-asparagine|l-asparagine	C4H8N2O3	C00152	asn-L	iJR904:asn-L|iAO358:cll_34|iAG612:cbs_218|iAF692:asn-L|iSB619:asn-L|iAF1260:asn-L|iIT341:asn_L|iAbaylyiv4:ASN|iND750:asn-L|iYO844:asn-L|iPS189:asn-L|iNJ661:asn-L|iJN746:asn-L	0	-123.31	0.59														
cpd00133	Nicotinamide|Nicotinic acid amide|Niacinamide|Vitamin PP|nicotinamide|NICO|niacinamide	C6H6N2O	C00153	ncam	iJR904:ncam|iAO358:cll_476:cll_477|iSB619:ncam|iAF1260:ncam|iAbaylyiv4:NIACINAMIDE|iND750:ncam|iYO844:ncam|iNJ661:ncam	0	5.55	1.51														
cpd00134	Palmitoyl-CoA|Hexadecanoyl-CoA|Palmitoyl-CoA (n-C16:0CoA)|hexadecanoyl-coa	C37H63N7O17P3S	C00154	pmtcoa	iAbaylyiv4:C16:0-COA|iYO844:pmtcoa|iND750:pmtcoa|iNJ661:pmtcoa|iSB619:pmtcoa|iAF1260:pmtcoa|iJN746:pmtcoa	-3	-763.15	3.91														
cpd00135	L-Homocysteine|L-2-Amino-4-mercaptobutyric acid|L-homocysteine	C4H9NO2S	C00155	hcys-L	iJR904:hcys-L|iAO358:cll_134|iAG612:cbs_0|iAF692:hcys-L|iSB619:hcys-L|iAF1260:hcys-L|iIT341:hcys_L|iAbaylyiv4:HOMO-CYS|iND750:hcys-L|iYO844:hcys-L|iNJ661:hcys-L|iJN746:hcys-L	0	-81.77	0.71														
cpd00136	4-Hydroxybenzoate|Hydroxybenzoic acid|4-Hydroxybenzoic acid|Hydroxybenzenecarboxylic acid	C7H5O3	C00156	NOT IN MODEL	iIT341:4hbz|iJR904:4hbz|iAbaylyiv4:4-HYDROXYBENZOATE|iND750:4hbz|iNJ661:4hbz|iAF1260:4hbz|iJN746:4hbz	-1	-92.53	0.89														
cpd00137	"Citrate|Citric acid|2-Hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxytricarballylic acid|citrate"	C6H5O7	C00158	cit	iJR904:cit|iAO358:cll_119|iAG612:cbs_159|iAF692:cit|iSB619:cit|iAF1260:cit|iIT341:cit|iAbaylyiv4:CIT|iND750:cit|iYO844:cit|iNJ661:cit|iJN746:cit	-3	-280.44	0.50														
cpd00138	D-Mannose|Mannose|Seminose|Carubinose|D-mannose|mannose|MANN	C6H12O6	C00159	man	iJR904:man|iAO358:cll_327|iAG612:cbs_306:cbs_466|iSB619:man|iAF1260:man|iND750:man|iYO844:man|iNJ661:man|iPS189:man	0	-218.28	1.54														
cpd00139	Glycolate|Glycolic acid|Hydroxyacetic acid|glycolate	C2H3O3	C00160	glyclt	iIT341:glyclt|iJR904:glyclt|iAbaylyiv4:GLYCOLLATE|iAF692:glyclt|iYO844:glyclt|iNJ661:glyclt|iSB619:glyclt|iAF1260:glyclt|iJN746:glyclt	-1	-122.98	0.19														
cpd00141	Propanoate|Propionate|Propanoic acid|Propionic acid|Propionate (n-C3:0)|propionate	C3H5O2	C00163	ppa	iJR904:ppa|iAbaylyiv4:PROPIONATE|iAF692:ppa|iYO844:ppa|iPS189:ppa|iNJ661:ppa|iAF1260:ppa|iJN746:ppa	-1	-85.13	0.18														
cpd00142	Acetoacetate|3-Oxobutanoic acid|beta-Ketobutyric acid|Acetoacetic acid|acetoacetate	C4H5O3	C00164	acac	iIT341:acac|iJR904:acac|iAbaylyiv4:3-KETOBUTYRATE|iAG612:cbs_111|iYO844:acac|iND750:acac|iNJ661:acac|iAF1260:acac|iJN746:acac	-1	-113.53	0.25														
cpd00143	Phenylpyruvate|Phenylpyruvic acid|alpha-Ketohydrocinnamic acid|keto-Phenylpyruvate|3-Phenyl-2-oxopropanoate|phenylpyruvate	C9H7O3	C00166	phpyr	iJR904:phpyr|iAO358:cll_45|iAG612:cbs_488|iAF692:phpyr|iSB619:phpyr|iAF1260:phpyr|iIT341:phpyr|iAbaylyiv4:PHENYL-PYRUVATE|iND750:phpyr|iYO844:phpyr|iNJ661:phpyr|iJN746:phpyr	-1	-75.82	0.83														
cpd00144	UDP-glucuronate|UDPglucuronate|UDP-D-glucuronate|UDP-alpha-D-glucuronate|udp-d-glucuronate	C15H19N2O18P2	C00167	udpglcur	iJR904:udpglcur|iAbaylyiv4:UDP-GLUCURONATE|iAF692:udpglcur|iYO844:udpglcur|iPS189:udpglcur|iNJ661:udpglcur|iAF1260:udpglcur	-3	-805.77	3.09														
cpd00145	Hydroxypyruvate|Hydroxypyruvic acid|3-Hydroxypyruvate|3-Hydroxypyruvic acid|hydroxypyruvate	C3H3O4	C00168	NOT IN MODEL	iJR904:hpyr|iAbaylyiv4:OH-PYR|iSB619:hpyr|iAF1260:hpyr|iJN746:hpyr	-1	-148.92	0.32														
cpd00146	Carbamoyl phosphate|Carbamoylphosphate|carbamoyl-phosphate|carbamoyl phosphate	CH3NO5P	C00169	cbp	iJR904:cbp|iAO358:cll_55|iAG612:cbs_45|iAF692:cbp|iSB619:cbp|iAF1260:cbp|iIT341:cbp|iAbaylyiv4:CARBAMOYL-P|iND750:cbp|iYO844:cbp|iNJ661:cbp|iJN746:cbp	-1	-310.26	0.54														
cpd00147	5'-Methylthioadenosine|Methylthioadenosine|S-Methyl-5'-thioadenosine|5-Methylthioadenosine|5'-Deoxy-5'-(methylthio)adenosine|Thiomethyladenosine|MTA|methylthioadenosine	C11H15N5O3S	C00170	5mta	iJR904:5mta|iAG612:cbs_271|iAF692:5mta|iSB619:5mta|iAF1260:5mta|iIT341:5mta|iND750:5mta|iYO844:5mta|iNJ661:5mta|iJN746:5mta	0	1.27	3.12														
cpd00149	Cobalt|Co2+	Co	C00175	cobalt2	iAF692:cobalt2|iYO844:cobalt2|iPS189:cobalt2|iNJ661:cobalt2|iSB619:cobalt2|iAF1260:cobalt2|iJN746:cobalt2	2	UNKNOWN	UNKNOWN														
cpd00151	Thymine|5-Methyluracil|thymine	C5H6N2O2	C00178	thym	iJR904:thym|iAO358:cll_310|iAG612:cbs_281|iAF692:thym|iAF1260:thym|iND750:thym|iYO844:thym|iNJ661:thym|iPS189:thym	0	-61.48	1.50														
cpd00152	Agmatine|(4-Aminobutyl) guanidine|agmatine	C5H16N4	C00179	agm	iJR904:agm|iAG612:cbs_180|iAF692:agm|iSB619:agm|iAF1260:agm|iIT341:agm|iYO844:agm|iNJ661:agm|iJN746:agm	2	5.87	1.57														
cpd00153	Benzoate|Benzoic acid|Benzenecarboxylic acid|Phenylformic acid|Dracylic acid|benzoate	C7H5O2	C00180	NOT IN MODEL	iAbaylyiv4:BENZOATE|iSB619:bz|iJN746:bz	-1	-53.05	0.82														
cpd00154	D-Xylose|Wood sugar|D-xylose|Xylose|xylose	C5H10O5	C00181|C01394	xyl-D	iJR904:xyl-D|iAO358:cll_388:cll_397|iAG612:cbs_323:cbs_528|iYO844:xyl-D|iND750:xyl-D|iNJ661:xyl-D|iAF1260:xyl-D	0	-180.06	1.37														
cpd00155	Glycogen|glycogen	C30H52O26	C00182	glycogen	iJR904:glycogen|iAG612:cbs_6|iAF692:glycogen|iSB619:glycogen|iAF1260:glycogen|iND750:glycogen|iYO844:glycogen|iNJ661:glycogen	0	-852.20	6.03														
cpd00156	L-Valine|2-Amino-3-methylbutyric acid|L-valine|l-valine	C5H11NO2	C00183	val-L	iJR904:val-L|iAO358:cll_82|iAG612:cbs_92|iAF692:val-L|iSB619:val-L|iAF1260:val-L|iIT341:val_L|iAbaylyiv4:VAL|iND750:val-L|iYO844:val-L|iPS189:val-L|iNJ661:val-L|iJN746:val-L	0	-86.49	0.44														
cpd00157	"Glycerone|Dihydroxyacetone|1,3-Dihydroxyacetone|1,3-Dihydroxy-2-propanone|1,3-Dihydroxypropan-2-one"	C3H6O3	C00184	dha	iJR904:dha|iAF692:dha|iYO844:dha|iND750:dha|iSB619:dha|iAF1260:dha	0	-108.16	0.36														
cpd00158	Cellobiose|1-beta-D-Glucopyranosyl-4-D-glucopyranose|cellobiose|CELB	C12H22O11	C00185	cellb	iAO358:cll_93:cll_110|iYO844:cellb|iPS189:cellb	0	-376.76	3.02														
cpd00159	(S)-Lactate|L-Lactate|L-Lactic acid|(S)-lactate|LCTT	C3H5O3	C00186	lac-L	iJR904:lac-L|iAO358:cll_253:cll_471|iAG612:cbs_457|iAF692:lac-L|iSB619:lac-L|iAF1260:lac-L|iIT341:lac_L|iAbaylyiv4:L-LACTATE|iND750:lac-L|iYO844:lac-L|iPS189:lac-L|iNJ661:lac-L|iJN746:lac-L	-1	-123.17	0.25														
cpd00161	L-Threonine|2-Amino-3-hydroxybutyric acid|L-threonine|threonine|l-threonine	C4H9NO3	C00188	thr-L	iJR904:thr-L|iAO358:cll_233:cll_491|iAG612:cbs_448|iAF692:thr-L|iSB619:thr-L|iAF1260:thr-L|iIT341:thr_L|iAbaylyiv4:THR|iND750:thr-L|iYO844:thr-L|iPS189:thr-L|iNJ661:thr-L|iJN746:thr-L	0	-124.34	0.41														
cpd00162	Ethanolamine|Aminoethanol|2-Hydroxyethylamine|ethanol-amine	C2H8NO	C00189	etha	iJR904:etha|iAbaylyiv4:ETHANOL-AMINE|iAF692:etha|iYO844:etha|iND750:etha|iNJ661:etha|iSB619:etha|iAF1260:etha	1	-44.51	0.29														
cpd00164	D-Glucuronate|Glucuronic acid|Glucuronate|D-Glucuronic acid|D-glucuronate|glucuronate	C6H9O7	C00191|C16245	glcur	iJR904:glcur|iAO358:cll_380|iAG612:cbs_301:cbs_349|iYO844:glcur|iAF1260:glcur	-1	-261.50	1.50														
cpd00168	"2,3-Dihydroxybenzoate|2,3-Dihydroxybenzoic acid|2,3-dihydroxybenzoate"	C7H5O4	C00196	23dhb	iJR904:23dhb|iAbaylyiv4:2-3-DIHYDROXYBENZOATE|iYO844:23dhb|iAF1260:23dhb	-1	-132.01	1.09														
cpd00169	3-Phospho-D-glycerate|D-Glycerate 3-phosphate|3-Phospho-(R)-glycerate|3-phospho-D-glycerate|Glycerate 3-phosphate|3-Phosphoglycerate|3-Phospho-DL-glycerate|DL-Glycerate 3-phosphate|3-phosphoglycerate	C3H5O7P	C00197|C00597	3pg	iJR904:3pg|iAO358:cll_313|iAG612:cbs_122|iAF692:3pg|iSB619:3pg|iAF1260:3pg|iIT341:3pg|iAbaylyiv4:G3P|iND750:3pg|iYO844:3pg|iPS189:3pg|iNJ661:3pg|iJN746:3pg	-2	-371.90	0.29														
cpd00170	"D-Glucono-1,5-lactone|Gluconic lactone|Gluconic acid lactone|1,5-Gluconolactone|delta-Gluconolactone|D-Gluconolactone|Gluconolactone|D-Aldonolactone|D-threo-Aldono-1,5-lactone|D-glucono-1,5-lactone"	C6H10O6	C00198|C16581|C16830	g15lac	iAbaylyiv4:GLC-D-LACTONE|iAG612:cbs_298|iYO844:g15lac	0	-216.02	1.28														
cpd00171	D-Ribulose 5-phosphate|D-Ribulose5-phosphate|D-ribulose 5-phosphate	C5H10O8P	C00199	ru5p-D	iJR904:ru5p-D|iAO358:cll_213|iAG612:cbs_140|iAF692:ru5p-D|iSB619:ru5p-D|iAF1260:ru5p-D|iIT341:ru5p_D|iAbaylyiv4:RIBULOSE-5P|iND750:ru5p-D|iYO844:ru5p-D|iPS189:ru5p-D|iNJ661:ru5p-D|iJN746:ru5p-D	-1	-393.50	0.57														
cpd00175	UDP-N-acetyl-D-galactosamine	C17H25N3O17P2	C00203	uacgala	iYO844:uacgala|iND750:udpacgal|iPS189:uacgala|iSB619:udpacgal|iAF1260:udpacgal	-2	-756.90	3.24														
cpd00176	2-Dehydro-3-deoxy-D-gluconate|2-dehydro-3-deoxy-D-gluconate|2-keto-3-deoxygluconate	C6H9O6	C00204	2ddglcn	iJR904:2ddglcn|iAO358:cll_245|iAG612:cbs_60:cbs_82|iYO844:2ddglcn|iAF1260:2ddglcn|iJN746:2ddglcn	-1	-220.14	0.59														
cpd00177	dADP|2'-Deoxyadenosine 5'-diphosphate|dadp	C10H13N5O9P2	C00206	dadp	iJR904:dadp|iAO358:cll_26|iAG612:cbs_260|iAF692:dadp|iSB619:dadp|iAF1260:dadp|iIT341:dadp|iAbaylyiv4:DADP|iND750:dadp|iYO844:dadp|iPS189:dadp|iNJ661:dadp|iJN746:dadp	-2	-426.01	2.98														
cpd00179	Maltose|Malt sugar|1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose|maltose	C12H22O11	C00208	malt	iJR904:malt|iAO358:cll_27|iAG612:cbs_195:cbs_461|iSB619:malt|iAF1260:malt|iND750:malt|iYO844:malt|iNJ661:malt|iPS189:malt	0	-376.76	3.02														
cpd00180	Oxalate|Oxalic acid|Ethanedioic acid|oxalate	C2O4	C00209	oxa	iAG612:cbs_356|iAF692:oxa|iYO844:oxa|iNJ661:oxa	-2	-161.00	0.50														
cpd00182	Adenosine|adenosine	C10H13N5O4	C00212	adn	iJR904:adn|iAO358:cll_13|iAG612:cbs_174|iAF692:adn|iSB619:adn|iAF1260:adn|iIT341:adn|iAbaylyiv4:ADENOSINE|iND750:adn|iYO844:adn|iPS189:adn|iNJ661:adn|iJN746:adn	0	-45.35	3.04														
cpd00184	Thymidine|Deoxythymidine|thymidine	C10H14N2O5	C00214	thymd	iJR904:thymd|iAO358:cll_299|iAG612:cbs_517|iAF692:thymd|iSB619:thymd|iAF1260:thymd|iIT341:thymd|iAbaylyiv4:THYMIDINE|iND750:thymd|iYO844:thymd|iPS189:thymd|iNJ661:thymd|iJN746:thymd	0	-145.84	1.77														
cpd00185	D-Arabinose	C5H10O5	C00216	arab-D	iYO844:arab-D|iND750:arab-D|iNJ661:arab-D	0	-180.06	1.37														
cpd00186	D-Glutamate|D-Glutamic acid|D-Glutaminic acid|D-2-Aminoglutaric acid|D-glutamate|d-glutamate	C5H8NO4	C00217	glu-D	iJR904:glu-D|iAO358:cll_282|iSB619:glu-D|iAF1260:glu-D|iIT341:glu_D|iAbaylyiv4:D-GLT|iYO844:glu-D|iNJ661:glu-D|iJN746:glu-D	-1	-164.13	0.38														
cpd00190	beta-D-Glucose|beta-D-glucose|beta-d-glucose	C6H12O6	C00221	NOT IN MODEL	iAO358:cll_92	0	-218.28	1.54														
cpd00191	3-Oxopropanoate|Malonate semialdehyde|3-oxopropanoate	C3H3O3	C00222	msa	iAG612:cbs_73|iYO844:msa|iPS189:msa|iNJ661:msa	-1	-111.88	0.22														
cpd00193	Adenylyl sulfate|Adenosine 5'-phosphosulfate|APS|5'-Adenylyl sulfate|adenylylsulfate|adenylyl sulfate|Adenosine5-phosphosulfate|aps	C10H12N5O10PS	C00224	aps	iJR904:aps|iAO358:cll_497|iAG612:cbs_177|iSB619:aps|iAF1260:aps|iIT341:aps|iAbaylyiv4:APS|iND750:aps|iYO844:aps|iNJ661:aps|iJN746:aps	-2	-367.85	3.11														
cpd00196	Acetyl phosphate|Acetylphosphate|acetyl-phosphate|acetyl phosphate|acetylphosphate	C2H4O5P	C00227	actp	iJR904:actp|iAO358:cll_6|iAG612:cbs_165|iAF692:actp|iSB619:actp|iAF1260:actp|iIT341:actp|iAbaylyiv4:ACETYL-P|iYO844:actp|iPS189:actp|iNJ661:actp|iJN746:actp	-1	-301.65	0.26														
cpd00198	D-Xylulose 5-phosphate|D-Xylulose5-phosphate|D-xylulose 5-phosphate|D-xylulose-5-phosphate	C5H10O8P	C00231	xu5p-D	iJR904:xu5p-D|iAO358:cll_358|iAG612:cbs_285:cbs_443|iAF692:xu5p-D|iSB619:xu5p-D|iAF1260:xu5p-D|iIT341:xu5p_D|iAbaylyiv4:XYLULOSE-5-PHOSPHATE|iND750:xu5p-D|iYO844:xu5p-D|iPS189:xu5p-D|iNJ661:xu5p-D|iJN746:xu5p-D	-1	-393.50	0.57														
cpd00199	Succinate semialdehyde|Succinic semialdehyde|4-Oxobutanoate|succinate semialdehyde	C4H5O3	C00232	sucsal	iJR904:sucsal|iAbaylyiv4:SUCC-S-ALD|iAF692:sucsal|iYO844:sucsal|iND750:sucsal|iNJ661:sucsal|iSB619:sucsal|iAF1260:sucsal|iJN746:sucsal	-1	-110.26	0.26														
cpd00200	4-Methyl-2-oxopentanoate|2-Oxoisocaproate|4-methyl-2-oxopentanoate|4MOP|2-ketoisocaproate	C6H9O3	C00233	4mop	iJR904:4mop|iAO358:cll_49:cll_437|iAG612:cbs_78|iAF692:4mop|iSB619:4mop|iAF1260:4mop|iIT341:4mop|iAbaylyiv4:2K-4CH3-PENTANOATE|iND750:4mop|iYO844:4mop|iNJ661:4mop|iJN746:4mop	-1	-109.64	0.40														
cpd00201	10-Formyltetrahydrofolate|10-Formyl-THF|10-formyltetrahydrofolate|10-formyl-thf	C20H21N7O7	C00234	10fthf	iJR904:10fthf|iAO358:cll_176|iAG612:cbs_28|iAF692:10fthf|iSB619:10fthf|iAF1260:10fthf|iIT341:10fthf|iAbaylyiv4:10-FORMYL-THF|iND750:10fthf|iYO844:10fthf|iPS189:10fthf|iNJ661:10fthf|iJN746:10fthf	-2	-144.77	3.21														
cpd00202	Dimethylallyl diphosphate|Prenyl diphosphate|2-Isopentenyl diphosphate|delta2-Isopentenyl diphosphate|delta-Prenyl diphosphate|DMAPP|Dimethylallyldiphosphate|dimethylallyl diphosphate	C5H10O7P2	C00235	dmpp	iJR904:dmpp|iAO358:cll_239|iAF692:dmpp|iSB619:dmpp|iAF1260:dmpp|iIT341:dmpp|iAbaylyiv4:DI-CH3-ALLYL-PPI|iND750:dmpp|iYO844:dmpp|iNJ661:dmpp|iJN746:dmpp	-2	-439.18	0.56														
cpd00203	"3-Phospho-D-glyceroyl phosphate|1,3-Bisphospho-D-glycerate|(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid|3-Phospho-D-glyceroylphosphate|3-phospho-D-glyceroyl phosphate|3-phospho-d-glyceroyl-phosphate"	C3H6O10P2	C00236	13dpg	iJR904:13dpg|iAO358:cll_201|iAF692:13dpg|iSB619:13dpg|iAF1260:13dpg|iIT341:13dpg|iAbaylyiv4:DPG|iND750:13dpg|iYO844:13dpg|iPS189:13dpg|iNJ661:13dpg|iJN746:13dpg	-2	-586.80	0.36														
cpd00204	CO|Carbon monoxide	CO	C00237	co	iAG612:cbs_20|iAF692:co|iYO844:co|iNJ661:co	0	UNKNOWN	0.50														
cpd00205	Potassium|K+|potassium	K	C00238	k	iJR904:k|iAF692:k|iSB619:k|iAF1260:k|iND750:k|iYO844:k|iNJ661:k|iPS189:k	1	UNKNOWN	UNKNOWN														
cpd00206	dCMP|Deoxycytidylic acid|Deoxycytidine monophosphate|Deoxycytidylate|2'-Deoxycytidine 5'-monophosphate|dcmp	C9H13N3O7P	C00239	dcmp	iJR904:dcmp|iAO358:cll_126|iAG612:cbs_266|iAF692:dcmp|iSB619:dcmp|iAF1260:dcmp|iAbaylyiv4:DCMP|iND750:dcmp|iYO844:dcmp|iPS189:dcmp|iNJ661:dcmp|iJN746:dcmp	-1	-305.54	1.83														
cpd00207	Guanine|2-Amino-6-hydroxypurine|guanine|GNN	C5H5N5O	C00242	gua	iJR904:gua|iAO358:cll_150:cll_458|iAG612:cbs_278|iAF692:gua|iSB619:gua|iAF1260:gua|iIT341:gua|iAbaylyiv4:GUANINE|iND750:gua|iYO844:gua|iPS189:gua|iNJ661:gua|iJN746:gua	0	28.40	2.51														
cpd00208	Lactose|1-beta-D-Galactopyranosyl-4-alpha-D-glucopyranose|Milk sugar|alpha-Lactose|Anhydrous lactose|lactose|LACT	C12H22O11	C00243	lcts	iJR904:lcts|iAO358:cll_251:cll_252|iYO844:lcts|iNJ661:lcts|iSB619:lcts|iAF1260:lcts	0	-376.76	3.02														
cpd00209	Nitrate|Nitric acid|nitrate	NO3	C00244	no3	iIT341:no3|iJR904:no3|iAbaylyiv4:NITRATE|iAG612:cbs_482|iYO844:no3|iNJ661:no3|iSB619:no3|iAF1260:no3	-1	-26.61	0.50														
cpd00210	Taurine|2-Aminoethanesulfonic acid|Aminoethylsulfonic acid|taurine	C2H7NO3S	C00245	taur	iJR904:taur|iAbaylyiv4:TAURINE|iYO844:taur|iAF1260:taur|iJN746:taur	0	-126.76	0.78														
cpd00211	Butanoic acid|Butanoate|Butyrate|Butyric acid|M_Butyrate|butanoate	C4H7O2	C00246	but	iJR904:but|iAbaylyiv4:BUTYRIC_ACID|iYO844:but|iNJ661:but|iAF1260:but	-1	-83.51	0.23														
cpd00212	L-Sorbose|L-xylo-Hexulose	C6H12O6	C00247	srb-L	iYO844:srb-L|iND750:srb-L	0	-217.61	1.37														
cpd00213	Lipoamide|Thioctic acid amide|lipoamide|Lipoamide-E|Enzyme N6-(lipoyl)lysine	C8H15NOS2	C00248|C15972	NOT IN MODEL	iAO358:cll_306|iND750:lpam|iNJ661:lpam|iSB619:lpam|iJN746:lpam	0	-21.54	1.63														
cpd00214	Hexadecanoic acid|Hexadecanoate|Hexadecylic acid|Palmitic acid|Palmitate|Cetylic acid|hexadecanoate|palmitate|Hexadecanoate (n-C16:0)	C16H31O2	C00249	hdca	iJR904:hdca|iAO358:cll_426:cll_449|iSB619:hdca|iAF1260:hdca|iAbaylyiv4:C16:0|iND750:hdca|iYO844:hdca|iNJ661:hdca|iJN746:hdca	-1	-64.07	1.24														
cpd00216	Chorismate|Chorismic acid|chorismate	C10H8O6	C00251	chor	iJR904:chor|iAO358:cll_72|iAG612:cbs_132|iAF692:chor|iSB619:chor|iAF1260:chor|iIT341:chor|iAbaylyiv4:CHORISMATE|iND750:chor|iYO844:chor|iNJ661:chor|iJN746:chor	-2	-169.49	1.41														
cpd00217	Isomaltose|Brachiose|isomaltose	C12H22O11	C00252	isomal	iAG612:cbs_376|iYO844:isomal	0	-376.76	3.02														
cpd00218	Nicotinate|Nicotinic acid|Niacin|3-Pyridinecarboxylic acid|nicotinate	C6H4NO2	C00253	nac	iJR904:nac|iAO358:cll_496|iAF692:nac|iSB619:nac|iAF1260:nac|iAbaylyiv4:NIACINE|iND750:nac|iYO844:nac|iPS189:nac|iNJ661:nac|iJN746:nac	-1	-36.89	1.42														
cpd00219	Prephenate|Prephenic acid|prephenate|prephenate-phe|prephenate-tyr	C10H8O6	C00254	pphn	iJR904:pphn|iAO358:cll_316:cll_376|iAG612:cbs_245|iAF692:pphn|iSB619:pphn|iAF1260:pphn|iIT341:pphn|iAbaylyiv4:PREPHENATE|iND750:pphn|iYO844:pphn|iNJ661:pphn|iJN746:pphn	-2	-186.17	1.32														
cpd00220	"Riboflavin|Lactoflavin|7,8-Dimethyl-10-ribitylisoalloxazine|Vitamin B2|riboflavin|RIBF"	C17H20N4O6	C00255	ribflv	iJR904:ribflv|iAO358:cll_352:cll_487|iAF692:ribflv|iSB619:ribflv|iAF1260:ribflv|iIT341:ribflv|iAbaylyiv4:RIBOFLAVIN|iND750:ribflv|iYO844:ribflv|iPS189:ribflv|iNJ661:ribflv|iJN746:ribflv	0	-110.72	2.88														
cpd00221	(R)-Lactate|D-Lactate|D-Lactic acid|D-2-Hydroxypropanoic acid|D-2-Hydroxypropionic acid|d-lactate	C3H5O3	C00256	NOT IN MODEL	iIT341:lac_D|iJR904:lac-D|iAbaylyiv4:D-LACTATE|iND750:lac-D|iSB619:lac-D|iAF1260:lac-D|iJN746:lac-D	-1	-123.17	0.25														
cpd00222	D-Gluconic acid|D-Gluconate|D-gluco-Hexonic acid|D-gluconate|GLCN	C6H11O7	C00257	glcn-D	iJR904:glcn|iAO358:cll_214:cll_215|iAG612:cbs_297:cbs_357|iAF692:glcn|iSB619:glcn|iAF1260:glcn|iAbaylyiv4:GLUCONATE|iYO844:glcn-D|iNJ661:glcn|iJN746:glcn	-1	-268.66	0.89														
cpd00223	D-Glycerate|Glycerate|(R)-Glycerate|Glyceric acid|glycerate	C3H5O4	C00258	glyc-R	iJR904:glyc-R|iAbaylyiv4:GLYCERATE|iAF692:glyc-R|iYO844:glyc-R|iNJ661:glyc-R|iSB619:glyc-R|iAF1260:glyc-R|iJN746:glyc-R	-1	-159.40	0.33														
cpd00224	L-Arabinose|L-Arabinopyranose|L-arabinose	C5H10O5	C00259|C11476	arab-L	iJR904:arab-L|iAO358:cll_393|iAG612:cbs_205|iYO844:arab-L|iND750:arab-L|iNJ661:arab-L|iAF1260:arab-L	0	-180.06	1.37														
cpd00226	Hypoxanthine|Purine-6-ol|hypoxanthine|HYXN	C5H4N4O	C00262	hxan	iJR904:hxan|iAO358:cll_151:cll_464|iAG612:cbs_173|iAF692:hxan|iSB619:hxan|iAF1260:hxan|iIT341:hxan|iAbaylyiv4:HYPOXANTHINE|iND750:hxan|iYO844:hxan|iPS189:hxan|iNJ661:hxan|iJN746:hxan	0	23.12	2.52														
cpd00227	L-Homoserine|2-Amino-4-hydroxybutyric acid|L-homoserine	C4H9NO3	C00263	hom-L	iJR904:hom-L|iAO358:cll_232|iAG612:cbs_161|iAF692:hom-L|iSB619:hom-L|iAF1260:hom-L|iIT341:hom_L|iAbaylyiv4:HOMO-SER|iND750:hom-L|iYO844:hom-L|iNJ661:hom-L|iJN746:hom-L	0	-122.53	0.35														
cpd00229	Glycolaldehyde|Hydroxyacetaldehyde|glycolaldehyde	C2H4O2	C00266	gcald	iJR904:gcald|iAO358:cll_179|iAF692:gcald|iSB619:gcald|iAF1260:gcald|iIT341:gcald|iAbaylyiv4:GLYCOLALDEHYDE|iND750:gcald|iYO844:gcald|iNJ661:gcald|iJN746:gcald	0	-70.28	0.22														
cpd00231	"Dihydrobiopterin|6,7-Dihydrobiopterin|Quinoid-dihydrobiopterin|(6R)-6-(L-erythro-1,2-Dihydroxypropyl)-7,8-dihydro-6H-pterin"	C9H13N5O3	C00268	NOT IN MODEL	iJN746:dhbpt	0	-35.76	2.71														
cpd00232	"N-Acetylneuraminate|N-Acetylneuraminic acid|5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid|Neu5Ac"	C11H18NO9	C00270	acnam	iJR904:acnam|iYO844:acnam|iSB619:acnam|iAF1260:acnam	-1	-326.40	1.55														
cpd00233	"Tetrahydrobiopterin|5,6,7,8-Tetrahydrobiopterin|2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydoro-4(1H)- pteridinone"	C9H15N5O3	C00272	NOT IN MODEL	iJN746:thbpt	0	-44.57	2.61														
cpd00235	D-Mannose 6-phosphate|D-Mannose6-phosphate|D-mannose-6-phosphate|D-mannose 6-phosphate	C6H12O9P	C00275	man6p	iJR904:man6p|iAO358:cll_317|iAG612:cbs_307|iAF692:man6p|iSB619:man6p|iAF1260:man6p|iIT341:man6p|iAbaylyiv4:MANNOSE-6P|iND750:man6p|iYO844:man6p|iPS189:man6p|iNJ661:man6p	-1	-430.78	1.51														
cpd00236	D-Erythrose 4-phosphate|D-Erythrose4-phosphate|D-erythrose 4-phosphate	C4H8O7P	C00279	e4p	iJR904:e4p|iAO358:cll_75|iAG612:cbs_284|iAF692:e4p|iSB619:e4p|iAF1260:e4p|iIT341:e4p|iAbaylyiv4:ERYTHROSE-4P|iND750:e4p|iYO844:e4p|iPS189:e4p|iNJ661:e4p|iJN746:e4p	-1	-355.62	0.47														
cpd00238	Sedoheptulose 7-phosphate|altro-Heptulose 7-phosphate|D-Sedoheptulose 7-phosphate|D-altro-Heptulose 7-phosphate|Sedoheptulose7-phosphate|sedoheptulose 7-phosphate|sedoheptulose-7-phosphate	C7H14O10P	C00281|C05382	s7p	iJR904:s7p|iAO358:cll_369|iAG612:cbs_313|iAF692:s7p|iSB619:s7p|iAF1260:s7p|iIT341:s7p|iAbaylyiv4:D-SEDOHEPTULOSE-7-P|iND750:s7p|iYO844:s7p|iPS189:s7p|iNJ661:s7p|iJN746:s7p	-1	-466.34	0.93														
cpd00239	Hydrogen sulfide|Hydrogen-sulfide|H2S|Hydrogensulfide|Sulfide|h2s|Thioether	H2S	C00283|C00297	h2s	iJR904:h2s|iAO358:cll_133|iAG612:cbs_4|iAF692:h2s|iSB619:h2s|iAF1260:h2s|iIT341:h2s|iAbaylyiv4:HS|iND750:h2s|iYO844:h2s|iNJ661:h2s|iJN746:h2s	0	-6.66	0.50														
cpd00241	dGTP|2'-Deoxyguanosine 5'-triphosphate|Deoxyguanosine 5'-triphosphate|Deoxyguanosine triphosphate|dgtp	C10H13N5O13P3	C00286	dgtp	iJR904:dgtp|iAO358:cll_295|iAG612:cbs_296|iAF692:dgtp|iSB619:dgtp|iAF1260:dgtp|iIT341:dgtp|iAbaylyiv4:DGTP|iND750:dgtp|iYO844:dgtp|iPS189:dgtp|iNJ661:dgtp|iJN746:dgtp	-3	-684.46	2.69														
cpd00242	HCO3-|Bicarbonate|Hydrogencarbonate|Acid carbonate|Carbonic acid|Dihydrogen carbonate|H2CO3|carbonic acid|carbonicacid|HCO(3-)|HCO3(-)	CHO3	C00288|C01353	hco3	iJR904:hco3|iAG612:cbs_157:cbs_387|iAF692:hco3|iSB619:hco3|iAF1260:hco3|iIT341:h2co3:hco3|iAbaylyiv4:HCO3|iND750:hco3|iYO844:hco3|iNJ661:h2co3:hco3|iJN746:hco3:h2co3	-1	-140.26	0.50														
cpd00244	Nickel|Ni2+|nickel	Ni	C00291	ni2	iIT341:ni2|iAF692:ni2|iYO844:ni2|iPS189:ni2|iSB619:ni2|iAF1260:ni2|iJN746:ni2	2	UNKNOWN	UNKNOWN														
cpd00246	Inosine|inosine	C10H12N4O5	C00294	ins	iJR904:ins|iAO358:cll_14|iAF1260:ins|iIT341:ins|iAbaylyiv4:INOSINE|iND750:ins|iYO844:ins|iPS189:ins|iNJ661:ins|iJN746:ins	0	-101.08	2.75														
cpd00247	Orotate|Orotic acid|Uracil-6-carboxylic acid|orotate	C5H3N2O4	C00295	orot	iJR904:orot|iAO358:cll_340|iAG612:cbs_303|iAF692:orot|iSB619:orot|iAF1260:orot|iIT341:orot|iAbaylyiv4:OROTATE|iND750:orot|iYO844:orot|iNJ661:orot|iJN746:orot	-1	-142.48	1.55														
cpd00249	Uridine|uridine	C9H12N2O6	C00299	uri	iJR904:uri|iAO358:cll_102|iAG612:cbs_256|iSB619:uri|iAF1260:uri|iIT341:uri|iAbaylyiv4:URIDINE|iND750:uri|iYO844:uri|iPS189:uri|iNJ661:uri|iJN746:uri	0	-185.27	1.90														
cpd00251	ADP-ribose|ADPribose	C15H21N5O14P2	C00301	adprib	iYO844:adprib|iND750:adprib|iSB619:adprib|iAF1260:adprib	-2	-585.97	3.80														
cpd00254	Magnesium|Mg2+|magnesium|Mg|Mg(2+)	Mg	C00305	mg2	iAG612:cbs_247|iAF692:mg2|iYO844:mg2|iPS189:mg2|iNJ661:mg2|iSB619:mg2|iAF1260:mg2	2	UNKNOWN	UNKNOWN														
cpd00258	D-Ribulose|D-erythro-2-Pentulose|D-Arabinoketose|D-Arabinulose|D-Riboketose	C5H10O5	C00309	rbl-D	iYO844:rbl-D|iNJ661:rbl-D	0	-180.95	1.22														
cpd00259	D-Xylulose|D-threo-Pentulose|D-Lyxulose|D-xylulose	C5H10O5	C00310	xylu-D	iJR904:xylu-D|iAO358:cll_389|iAG612:cbs_324|iYO844:xylu-D|iND750:xylu-D|iNJ661:xylu-D|iAF1260:xylu-D	0	-180.95	1.22														
cpd00260	"Isocitrate|Isocitric acid|1-Hydroxytricarballylic acid|1-Hydroxypropane-1,2,3-tricarboxylic acid|isocitrate"	C6H5O7	C00311	icit	iJR904:icit|iAO358:cll_120|iAG612:cbs_248|iAF692:icit|iSB619:icit|iAF1260:icit|iIT341:icit|iAbaylyiv4:THREO-D(S)-ISO-CITRATE|iND750:icit|iYO844:icit|iNJ661:icit|iJN746:icit	-3	-279.02	0.48														
cpd00261	L-Xylulose|L-threo-Pentulose|L-Lyxulose	C5H10O5	C00312	NOT IN MODEL	iAF1260:xylu-L	0	-180.95	1.22														
cpd00264	"Spermidine|N-(3-Aminopropyl)-1,4-butane-diamine|spermidine"	C7H22N3	C00315	spmd	iJR904:spmd|iAO358:cll_319|iAG612:cbs_270|iSB619:spmd|iAF1260:spmd|iIT341:spmd|iND750:spmd|iYO844:spmd|iNJ661:spmd|iPS189:spmd|iJN746:spmd	3	4.79	1.16														
cpd00266	"L-Carnitine|L-gamma-Trimethyl-beta-hydroxybutyrobetaine|Vitamin BT|3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt|Levocarnitine|(R)-Carnitine|Carnitine|gamma-Trimethyl-hydroxybutyrobetaine|3-Hydroxy-4-trimethylammoniobutanoate|l-carnitine"	C7H15NO3	C00318|C00487	crn	iJR904:crn|iAbaylyiv4:CARNITINE|iYO844:crn|iND750:crn|iNJ661:crn|iSB619:crn|iAF1260:crn|iJN746:crn	0	-65.83	1.98														
cpd00268	Thiosulfate|Hyposulfite|H2S2O3|thiosulfate	O3S2	C00320|C05529	tsul	iJR904:tsul|iAG612:cbs_484|iAF692:tsul|iYO844:tsul|iNJ661:tsul|iAF1260:tsul|iJN746:tsul	-2	-122.70	0.50														
cpd00274	L-Citrulline|2-Amino-5-ureidovaleric acid|Citrulline|L-citrulline|citrulline	C6H13N3O3	C00327	citr-L	iJR904:citr-L|iAO358:cll_54|iAG612:cbs_219|iAF692:citr-L|iSB619:citr-L|iAF1260:citr-L|iIT341:citr_L|iAbaylyiv4:L-CITRULLINE|iND750:citr-L|iYO844:citr-L|iNJ661:citr-L|iJN746:citr-L	0	-123.87	1.02														
cpd00276	D-Glucosamine|Chitosamine|2-Amino-2-deoxy-D-glucose|GLUM	C6H14NO5	C00329	gam	iJR904:gam|iAO358:cll_328|iYO844:gam|iPS189:gam|iAF1260:gam	1	-183.03	1.51														
cpd00277	Deoxyguanosine|2'-Deoxyguanosine|deoxyguanosine	C10H13N5O4	C00330	dgsn	iJR904:dgsn|iAO358:cll_152|iAG612:cbs_276|iAF1260:dgsn|iIT341:dgsn|iAbaylyiv4:DEOXYGUANOSINE|iND750:dgsn|iYO844:dgsn|iPS189:dgsn|iNJ661:dgsn|iJN746:dgsn	0	-55.96	2.69														
cpd00279	Acetoacetyl-CoA|Acetoacetyl coenzyme A|3-Acetoacetyl-CoA|acetoacetyl-CoA|acetoacetyl-coa	C25H37N7O18P3S	C00332	aacoa	iJR904:aacoa|iAO358:cll_168|iAF692:aacoa|iSB619:aacoa|iAF1260:aacoa|iIT341:aacoa|iAbaylyiv4:ACETOACETYL-COA|iND750:aacoa|iYO844:aacoa|iNJ661:aacoa|iJN746:aacoa	-3	-812.61	3.58														
cpd00280	D-Galacturonate|D-Galacturonic acid|D-galacturonate	C6H9O7	C00333	galur	iJR904:galur|iAO358:cll_382|iAG612:cbs_293|iYO844:galur|iAF1260:galur	-1	-261.50	1.50														
cpd00281	4-Aminobutanoate|4-Aminobutanoic acid|4-Aminobutyrate|4-Aminobutyric acid|gamma-Aminobutyric acid|4-Aminobutylate|4-aminobutanoate|GABA|4-aminobutyrate	C4H9NO2	C00334	4abut	iJR904:4abut|iAO358:cll_192:cll_194|iAF692:4abut|iSB619:4abut|iAF1260:4abut|iIT341:4abut|iAbaylyiv4:4-AMINO-BUTYRATE|iND750:4abut|iYO844:4abut|iPS189:4abut|iNJ661:4abut|iJN746:4abut	0	-84.49	0.35														
cpd00282	"(S)-Dihydroorotate|(S)-4,5-Dihydroorotate|L-Dihydroorotate|L-Dihydroorotic acid|Dihydro-L-orotic acid|S-Dihydroorotate|(S)-dihydroorotate"	C5H5N2O4	C00337	dhor-S	iJR904:dhor-S|iAO358:cll_339|iAF692:dhor-S|iSB619:dhor-S|iAF1260:dhor-S|iIT341:dhor_S|iAbaylyiv4:DI-H-OROTATE|iND750:dhor-S|iYO844:dhor-S|iNJ661:dhor-S|iJN746:dhor-S	-1	-151.52	1.44														
cpd00283	Geranyl diphosphate|Geranyldiphosphate|geranyl diphosphate	C10H18O7P2	C00341	grdp	iJR904:grdp|iAO358:cll_241|iAF692:grdp|iSB619:grdp|iAF1260:grdp|iIT341:grdp|iAbaylyiv4:GERANYL-PP|iND750:grdp|iYO844:grdp|iNJ661:grdp|iJN746:grdp	-2	-411.09	1.04														
cpd00284	6-Phospho-D-gluconate|6-phospho-D-gluconate	C6H11O10P	C00345	6pgc	iJR904:6pgc|iAO358:cll_212|iAG612:cbs_139|iSB619:6pgc|iAF1260:6pgc|iIT341:6pgc|iAbaylyiv4:6-P-GLUCONATE|iND750:6pgc|iYO844:6pgc|iNJ661:6pgc|iJN746:6pgc	-2	-481.16	0.82														
cpd00285	Ethanolamine phosphate|O-Phosphorylethanolamine|Phosphoethanolamine|O-Phosphoethanolamine	C2H8NO4P	C00346	NOT IN MODEL	iND750:ethamp	0	-257.01	0.31														
cpd00286	Undecaprenyl phosphate|Undecaprenylphosphate|undecaprenyl phosphate	C55H90O4P	C00348	udcpp	iJR904:udcpp|iAO358:cll_81|iSB619:udcpp|iAF1260:udcpp|iIT341:udcpp|iAbaylyiv4:UNDECAPRENYL-P|iYO844:udcpp|iNJ661:udcpp|iJN746:udcpp	-1	49.72	5.57														
cpd00287	2-Methyl-3-oxopropanoate|3-Oxo-2-methylpropanoate|(S)-Methylmalonate semialdehyde|Methylmalonate semialdehyde|methylmalonate-semialdehyde	C4H5O3	C00349|C06002	2mop	iAbaylyiv4:CH3-MALONATE-S-ALD|iAG612:cbs_113|iYO844:2mop:mmalsa|iNJ661:2mop|iJN746:mmtsa	-1	-112.07	0.27														
cpd00288	D-Glucosamine 6-phosphate|D-Glucosamine phosphate|D-Glucosamine6-phosphate|D-glucosamine 6-phosphate|d-glucosamine-6-phosphate	C6H14NO8P	C00352	gam6p	iJR904:gam6p|iAO358:cll_174:cll_329|iAF692:gam6p|iSB619:gam6p|iAF1260:gam6p|iIT341:gam6p|iAbaylyiv4:D-GLUCOSAMINE-6-P|iND750:gam6p|iYO844:gam6p|iPS189:gam6p|iNJ661:gam6p|iJN746:gam6p	0	-395.53	1.48														
cpd00289	Geranylgeranyl diphosphate|Geranylgeranyl pyrophosphate|all-trans-Geranylgeranyl diphosphate|all-trans-Geranylgeranyl pyrophosphate	C20H34O7P2	C00353	ggdp	iAF692:ggdp|iYO844:ggdp	-2	-354.91	2.03														
cpd00290	"D-Fructose 1,6-bisphosphate|beta-D-Fructose 1,6-bisphosphate|D-fructose-1,6-bisphosphate|D-fructose 1,6-bisphosphate|D-Fructose1-6-bisphosphate"	C6H12O12P2	C00354|C05378	fdp	iJR904:fdp|iAO358:cll_169|iAG612:cbs_217|iAF692:fdp|iSB619:fdp|iAF1260:fdp|iIT341:fdp|iAbaylyiv4:FRUCTOSE-16-DIPHOSPHATE|iND750:fdp|iYO844:fdp|iPS189:fdp|iNJ661:fdp|iJN746:fdp	-2	-644.17	1.30														
cpd00292	(S)-3-Hydroxy-3-methylglutaryl-CoA|Hydroxymethylglutaryl-CoA|Hydroxymethylglutaroyl coenzyme A|HMG-CoA|3-Hydroxy-3-methylglutaryl-CoA|3-hydroxy-3-methylglutaryl-CoA|(S)-3-hydroxy-3-methylglutaryl-CoA	C27H40N7O20P3S	C00356	hmgcoa	iAO358:cll_231|iAG612:cbs_110|iAF692:hmgcoa|iYO844:hmgcoa|iND750:hmgcoa|iSB619:hmgcoa|iJN746:hmgcoa	-4	-900.07	3.61														
cpd00293	N-Acetyl-D-glucosamine 6-phosphate|N-acetyl-D-glucosamine 6-phosphate	C8H15NO9P	C00357	acgam6p	iJR904:acgam6p|iAO358:cll_289|iSB619:acgam6p|iAF1260:acgam6p|iND750:acgam6p|iYO844:acgam6p|iNJ661:acgam6p|iPS189:acgam6p	-1	-425.13	1.61														
cpd00294	dAMP|2'-Deoxyadenosine 5'-phosphate|2'-Deoxyadenosine 5'-monophosphate|Deoxyadenylic acid|Deoxyadenosine monophosphate|damp	C10H13N5O6P	C00360	damp	iJR904:damp|iAO358:cll_25|iAG612:cbs_263|iAF692:damp|iSB619:damp|iAF1260:damp|iIT341:damp|iAbaylyiv4:DAMP|iND750:damp|iYO844:damp|iPS189:damp|iNJ661:damp|iJN746:damp	-1	-218.01	2.98														
cpd00295	dGDP|2'-Deoxyguanosine 5'-diphosphate|dgdp	C10H13N5O10P2	C00361	dgdp	iJR904:dgdp|iAO358:cll_211|iAG612:cbs_295|iAF692:dgdp|iSB619:dgdp|iAF1260:dgdp|iIT341:dgdp|iAbaylyiv4:DGDP|iND750:dgdp|iYO844:dgdp|iPS189:dgdp|iNJ661:dgdp|iJN746:dgdp	-2	-476.46	2.69														
cpd00296	dGMP|2'-Deoxyguanosine 5'-monophosphate|2'-Deoxyguanosine 5'-phosphate|Deoxyguanylic acid|Deoxyguanosine monophosphate|dgmp	C10H13N5O7P	C00362	dgmp	iJR904:dgmp|iAO358:cll_163|iAG612:cbs_277|iSB619:dgmp|iAF1260:dgmp|iIT341:dgmp|iAbaylyiv4:DGMP|iND750:dgmp|iYO844:dgmp|iPS189:dgmp|iNJ661:dgmp|iJN746:dgmp	-1	-268.46	2.68														
cpd00297	dTDP|Deoxythymidine 5'-diphosphate|dtdp	C10H14N2O11P2	C00363	dtdp	iJR904:dtdp|iAO358:cll_403|iAG612:cbs_315|iAF692:dtdp|iSB619:dtdp|iAF1260:dtdp|iIT341:dtdp|iAbaylyiv4:TDP|iND750:dtdp|iYO844:dtdp|iPS189:dtdp|iNJ661:dtdp|iJN746:dtdp	-2	-566.34	1.77														
cpd00298	dTMP|Thymidine 5'-phosphate|Deoxythymidine 5'-phosphate|Thymidylic acid|5'-Thymidylic acid|Thymidine monophosphate|Deoxythymidylic acid|Thymidylate|dtmp	C10H14N2O8P	C00364	dtmp	iJR904:dtmp|iAO358:cll_298|iAG612:cbs_317|iAF692:dtmp|iSB619:dtmp|iAF1260:dtmp|iIT341:dtmp|iAbaylyiv4:TMP|iND750:dtmp|iYO844:dtmp|iPS189:dtmp|iNJ661:dtmp|iJN746:dtmp	-1	-358.34	1.77														
cpd00299	dUMP|Deoxyuridylic acid|Deoxyuridine monophosphate|Deoxyuridine 5'-phosphate|2'-Deoxyuridine 5'-phosphate|dump	C9H12N2O8P	C00365	dump	iJR904:dump|iAO358:cll_142|iAG612:cbs_267|iAF692:dump|iSB619:dump|iAF1260:dump|iIT341:dump|iAbaylyiv4:DUMP|iND750:dump|iYO844:dump|iPS189:dump|iNJ661:dump|iJN746:dump	-1	-357.93	1.80														
cpd00300	Urate|Uric acid|urate	C5H4N4O3	C00366	urate	iAbaylyiv4:URATE|iAG612:cbs_524:cbs_525|iYO844:urate|iAF1260:urate|iJN746:urate	0	-90.93	3.24														
cpd00305	Thiamin|Thiamine|Vitamin B1|Aneurin|Antiberiberi factor|thiamine|THI	C12H17N4OS	C00378	thm	iJR904:thm|iAO358:cll_489:cll_490|iAF692:thm|iSB619:thm|iAF1260:thm|iIT341:thm|iND750:thm|iYO844:thm|iPS189:thm|iNJ661:thm	1	52.18	2.57														
cpd00307	Cytosine|cytosine	C4H5N3O	C00380	csn	iJR904:csn|iAO358:cll_309:cll_452|iAF692:csn|iSB619:csn|iAF1260:csn|iAbaylyiv4:CYTOSINE|iND750:csn|iYO844:csn|iPS189:csn|iJN746:csn	0	-8.68	1.38														
cpd00309	Xanthine|xanthine|XAN	C5H4N4O2	C00385	xan	iJR904:xan|iAO358:cll_154:cll_302|iAG612:cbs_359|iAF692:xan|iSB619:xan|iAF1260:xan|iIT341:xan|iAbaylyiv4:XANTHINE|iND750:xan|iYO844:xan|iPS189:xan|iNJ661:xan|iJN746:xan	0	-27.73	2.67														
cpd00311	Guanosine|guanosine	C10H13N5O5	C00387	gsn	iJR904:gsn|iAO358:cll_149|iAG612:cbs_360|iAF1260:gsn|iIT341:gsn|iAbaylyiv4:GUANOSINE|iND750:gsn|iYO844:gsn|iPS189:gsn|iNJ661:gsn|iJN746:gsn	0	-95.80	2.75														
cpd00313	"Quercetin|3,3',4,5,7-Pentahydroxyflavone|3,5,7,3',4'-Pentahydroxyflavone"	C15H9O7	C00389	quc	iYO844:quc	-1	-177.08	2.72														
cpd00314	Mannitol|D-Mannitol|mannitol|MNTL	C6H14O6	C00392	mnl	iJR904:mnl|iAO358:cll_277|iAG612:cbs_471|iYO844:mnl|iPS189:mnl|iSB619:mnl|iAF1260:mnl	0	-225.44	0.99														
cpd00322	L-Isoleucine|2-Amino-3-methylvaleric acid|L-isoleucine|l-iso-leucine	C6H13NO2	C00407	ile-L	iJR904:ile-L|iAO358:cll_52|iAG612:cbs_86|iAF692:ile-L|iSB619:ile-L|iAF1260:ile-L|iIT341:ile_L|iAbaylyiv4:ILE|iND750:ile-L|iYO844:ile-L|iPS189:ile-L|iNJ661:ile-L|iJN746:ile-L	0	-84.87	0.45														
cpd00327	Stearoyl-CoA|Stearyl-CoA|Stearyl coenzyme A|Stearyl-CoA (n-C18:0CoA)|strcoa|Stearoyl-CoA (n-C18:0CoA)	C39H67N7O17P3S	C00412	strcoa	iAbaylyiv4:C18:0-COA|iYO844:strcoa|iND750:stcoa|iNJ661:stcoa|iAF1260:stcoa	-3	-759.91	3.99														
cpd00330	"Dihydrofolate|Dihydrofolic acid|7,8-Dihydrofolate|7,8-Dihydrofolic acid|7,8-Dihydropteroylglutamate|dihydrofolate|7-8-Dihydrofolate|7,8-dihydrofolate"	C19H19N7O6	C00415	dhf	iJR904:dhf|iAO358:cll_155|iAG612:cbs_322|iAF692:dhf|iSB619:dhf|iAF1260:dhf|iIT341:dhf|iAbaylyiv4:DIHYDROFOLATE|iND750:dhf|iYO844:dhf|iPS189:dhf|iNJ661:dhf|iJN746:dhf	-2	-109.12	3.01														
cpd00331	cis-Aconitate|cis-Aconitic acid|cis-aconitate	C6H3O6	C00417	NOT IN MODEL	iAbaylyiv4:CIS-ACONITATE|iAF1260:acon-C|iJN746:acon-C	-3	-222.28	0.75														
cpd00334	(S)-Lactaldehyde|L-Lactaldehyde|L-2-Hydroxypropionaldehyde	C3H6O2	C00424	lald-L	iIT341:lald_L|iJR904:lald-L|iAF692:lald-L|iYO844:lald-L|iND750:lald-L|iNJ661:lald-L|iAF1260:lald-L	0	-70.47	0.28														
cpd00338	5-Aminolevulinate|5-Amino-4-oxopentanoate|5-Amino-4-oxovaleric acid|5-amino-levulinate	C5H9NO3	C00430	5aop	iJR904:5aop|iAF692:5aop|iSB619:5aop|iAF1260:5aop|iIT341:5aop|iAbaylyiv4:5-AMINO-LEVULINATE|iND750:5aop|iYO844:5aop|iPS189:5aop|iNJ661:5aop|iJN746:5aop	0	-112.89	0.39														
cpd00340	"2,5-Dioxopentanoate|2-Oxoglutarate semialdehyde|2,5-dioxopentanoate"	C5H5O4	C00433	25dop	iAbaylyiv4:CPD-654|iYO844:25dop	-1	-136.20	0.37														
cpd00342	N-Acetylornithine|N2-Acetyl-L-ornithine|N2-acetyl-L-ornithine|N-acetyl-L-ornithine	C7H14N2O3	C00437	acorn	iJR904:acorn|iAO358:cll_64|iAG612:cbs_480|iAF692:acorn|iSB619:acorn|iAF1260:acorn|iAbaylyiv4:N-ALPHA-ACETYLORNITHINE|iND750:acorn|iYO844:acorn|iNJ661:acorn|iJN746:acorn	0	-115.26	0.76														
cpd00343	N-Carbamoyl-L-aspartate|N-carbamoyl-L-aspartate	C5H6N2O5	C00438	cbasp	iJR904:cbasp|iAO358:cll_341|iAG612:cbs_241|iAF692:cbasp|iSB619:cbasp|iAF1260:cbasp|iIT341:cbasp|iAbaylyiv4:CARBAMYUL-L-ASPARTATE|iND750:cbasp|iYO844:cbasp|iNJ661:cbasp|iJN746:cbasp	-2	-203.96	0.99														
cpd00344	N-Formimino-L-glutamate|N-Formimidoyl-L-glutamate|N-formimino-L-glutamate	C6H9N2O4	C00439	forglu	iAG612:cbs_128|iYO844:forglu|iSB619:forglu|iJN746:forglu	-1	-157.18	1.48														
cpd00345	5-Methyltetrahydrofolate|5-methyltetrahydrofolate	C20H23N7O6	C00440	5mthf	iJR904:5mthf|iAO358:cll_271|iAF692:5mthf|iSB619:5mthf|iAF1260:5mthf|iIT341:5mthf|iAbaylyiv4:5-METHYL-THF|iND750:5mthf|iYO844:5mthf|iNJ661:5mthf|iJN746:5mthf	-2	-101.70	2.85														
cpd00346	L-Aspartate 4-semialdehyde|Aspartate beta-semialdehyde|L-Aspartic 4-semialdehyde|L-Aspartate4-semialdehyde|L-aspartate 4-semialdehyde	C4H7NO3	C00441	aspsa	iJR904:aspsa|iAO358:cll_77|iAG612:cbs_130|iAF692:aspsa|iSB619:aspsa|iAF1260:aspsa|iIT341:aspsa|iAbaylyiv4:L-ASPARTATE-SEMIALDEHYDE|iND750:aspsa|iYO844:aspsa|iNJ661:aspsa|iJN746:aspsa	0	-113.05	0.33														
cpd00347	"5,10-Methenyltetrahydrofolate|5,10-methenyltetrahydrofolate|5-10-Methenyltetrahydrofolate"	C20H20N7O6	C00445	methf	"iJR904:methf|iAO358:cll_181|iAF692:methf|iSB619:methf|iAF1260:methf|iIT341:methf|iAbaylyiv4:5,10-METHENYL-THF|iND750:methf|iYO844:methf|iPS189:methf|iNJ661:methf|iJN746:methf"	-1	-97.00	3.12														
cpd00348	alpha-D-Galactose 1-phosphate|alpha-D-Galactopyranose 1-phosphate|alpha-D-Galactose1-phosphate|alpha-D-galactose-1-phosphate|alpha-D-galactose 1-phosphate	C6H12O9P	C00446	gal1p	iJR904:gal1p|iAO358:cll_198|iAG612:cbs_186|iAF692:gal1p|iAF1260:gal1p|iIT341:gal1p|iND750:gal1p|iYO844:gal1p|iNJ661:gal1p	-1	-430.78	1.51														
cpd00349	"D-Sedoheptulose 1,7-bisphosphate|D-altro-Heptulose 1,7-biphosphate"	C7H14O13P2	C00447	NOT IN MODEL		-2	-678.84	0.89														
cpd00350	"trans,trans-Farnesyl diphosphate|Farnesyl diphosphate|Farnesyl pyrophosphate|2-trans,6-trans-Farnesyl diphosphate|Farnesyldiphosphate|trans,trans-farnesyl diphosphate|trans, trans-farnesyl diphosphate"	C15H26O7P2	C00448	frdp	iJR904:frdp|iAO358:cll_242|iAF692:frdp|iSB619:frdp|iAF1260:frdp|iIT341:frdp|iAbaylyiv4:FARNESYL-PP|iND750:frdp|iYO844:frdp|iNJ661:frdp|iJN746:frdp	-2	-383.00	1.53														
cpd00352	"2,3,4,5-Tetrahydropyridine-2-carboxylate|delta1-Piperideine-6-L-carboxylate|2,3,4,5-tetrahydropyridine-2-carboxylate"	C6H8NO2	C00450	NOT IN MODEL	iAO358:cll_141|iJN746:thp2c	-1	-56.09	1.01														
cpd00355	Nicotinamide D-ribonucleotide|NMN|Nicotinamide mononucleotide|Nicotinamide ribonucleotide|Nicotinamide nucleotide|beta-Nicotinamide D-ribonucleotide|beta-Nicotinamide ribonucleotide|beta-Nicotinamide mononucleotide|nicotinamide ribonucleotide|nicotinamide nucleotide	C11H15N2O8P	C00455	nmn	iJR904:nmn|iAO358:cll_406|iAF692:nmn|iAF1260:nmn|iIT341:nmn|iAbaylyiv4:NICOTINAMIDE_NUCLEOTIDE|iND750:nmn|iYO844:nmn|iPS189:nmn	0	-337.74	2.01														
cpd00356	dCTP|Deoxycytidine 5'-triphosphate|Deoxycytidine triphosphate|2'-Deoxycytidine 5'-triphosphate|dctp	C9H13N3O13P3	C00458	dctp	iJR904:dctp|iAO358:cll_296|iAG612:cbs_265|iAF692:dctp|iSB619:dctp|iAF1260:dctp|iIT341:dctp|iAbaylyiv4:DCTP|iND750:dctp|iYO844:dctp|iPS189:dctp|iNJ661:dctp|iJN746:dctp	-3	-721.54	1.85														
cpd00357	dTTP|Deoxythymidine triphosphate|Deoxythymidine 5'-triphosphate|TTP|ttp	C10H14N2O14P3	C00459	dttp	iJR904:dttp|iAO358:cll_355|iAG612:cbs_316|iAF692:dttp|iSB619:dttp|iAF1260:dttp|iIT341:dttp|iAbaylyiv4:TTP|iND750:dttp|iYO844:dttp|iPS189:dttp|iNJ661:dttp|iJN746:dttp	-3	-774.34	1.78														
cpd00358	dUTP|2'-Deoxyuridine 5'-triphosphate|dutp	C9H12N2O14P3	C00460	dutp	iJR904:dutp|iAO358:cll_164|iAG612:cbs_320|iAF692:dutp|iSB619:dutp|iAF1260:dutp|iIT341:dutp|iAbaylyiv4:DUTP|iND750:dutp|iYO844:dutp|iPS189:dutp|iNJ661:dutp|iJN746:dutp	-3	-773.93	1.81														
cpd00359	"Indole|2,3-Benzopyrrole|indole|indol"	C8H7N	C00463	NOT IN MODEL	iIT341:indole|iJR904:indole|iAO358:cll_372|iAG612:cbs_371|iAF692:indole|iNJ661:indole|iAF1260:indole|iJN746:indole	0	54.41	1.59														
cpd00360	Purine|purine	C5H4N4	C00465|C15587	purine	iAbaylyiv4:PURINE|iYO844:purine	0	73.57	2.76														
cpd00361	Acetoin|2-Acetoin|3-Hydroxybutan-2-one|3-Hydroxy-2-butanone|Dimethylketol|acetoin|2-acetoin|ACTN|(R)-Acetoin|(R)-2-Acetoin|(R)-3-Hydroxy-2-butanone|(R)-Dimethylketol|(R)-3-Hydroxybutan-2-one	C4H8O2	C00466|C00810	actn-R	iAbaylyiv4:ACETOIN|iAO358:cll_32:cll_440|iAG612:cbs_64|iAF692:actn-R|iYO844:actn-R|iSB619:actn-R	0	-72.12	0.35														
cpd00363	Ethanol|Ethyl alcohol|Methylcarbinol|Dehydrated ethanol|ethanol|ETOH	C2H6O	C00469	etoh	iJR904:etoh|iAO358:cll_21:cll_454|iAG612:cbs_153|iAF692:etoh|iSB619:etoh|iAF1260:etoh|iIT341:etoh|iAbaylyiv4:ETOH|iND750:etoh|iYO844:etoh|iJN746:etoh	0	-43.44	0.50														
cpd00367	Cytidine|cytidine	C9H13N3O5	C00475	cytd	iJR904:cytd|iAO358:cll_101|iAG612:cbs_254:cbs_255|iSB619:cytd|iAF1260:cytd|iIT341:cytd|iAbaylyiv4:CYTIDINE|iND750:cytd|iYO844:cytd|iPS189:cytd|iNJ661:cytd|iJN746:cytd	0	-132.88	1.93														
cpd00368	D-Lyxose	C5H10O5	C00476	NOT IN MODEL		0	-180.06	1.37														
cpd00371	Propanal|Propionaldehyde	C3H6O	C00479	ppal	iYO844:ppal|iNJ661:ppal|iAF1260:ppal|iJN746:ppal	0	-32.43	0.22														
cpd00378	Formamide|Methanamide|formamide	CH3NO	C00488	frmd	iIT341:frmd|iAG612:cbs_481|iYO844:frmd|iSB619:frmd	0	-28.36	0.37														
cpd00381	L-Cystine|L-Dicysteine|L-alpha-Diamino-beta-dithiolactic acid|L-cystine	C6H12N2O4S2	C00491	cyst-L	iAG612:cbs_253|iYO844:cyst-L	0	-159.61	1.33														
cpd00382	Raffinose|Melitose|Melitriose|Gossypose|6G-alpha-D-galactosylsucrose	C18H32O16	C00492	raffin	iYO844:raffin|iND750:raffin|iSB619:raffin	0	-536.13	4.25														
cpd00383	"Shikimate|Shikimic acid|3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid|shikimate"	C7H9O5	C00493	skm	iJR904:skm|iAO358:cll_74|iAG612:cbs_109|iAF692:skm|iSB619:skm|iAF1260:skm|iIT341:skm|iAbaylyiv4:SHIKIMATE|iND750:skm|iYO844:skm|iNJ661:skm|iJN746:skm	-1	-171.29	0.95														
cpd00386	(R)-Malate|D-Malate|D-Malic acid	C4H4O5	C00497	mal-D	iYO844:mal-D|iAF1260:mal-D	-2	-201.00	0.31														
cpd00387	ADP-glucose|Adenosine diphosphoglucose|ADPglucose	C16H23N5O15P2	C00498	adpglc	iJR904:adpglc|iYO844:adpglc|iNJ661:adpglc|iSB619:adpglc|iAF1260:adpglc	-2	-622.63	3.92														
cpd00388	Allantoate|Allantoic acid|allantoate	C4H7N4O4	C00499	alltt	iJR904:alltt|iAbaylyiv4:ALLANTOATE|iAG612:cbs_183|iYO844:alltt|iND750:alltt|iAF1260:alltt	-1	-166.94	1.90														
cpd00390	CDP-glucose|CDP-D-Glucose	C15H23N3O16P2	C00501	NOT IN MODEL		-2	-710.16	3.14														
cpd00393	Folate|Pteroylglutamic acid|Folic acid|folate|FOL	C19H17N7O6	C00504	fol	iAO358:cll_157:cll_455|iAF692:fol|iYO844:fol|iPS189:fol|iNJ661:fol	-2	-109.27	3.19														
cpd00395	L-Cysteate|L-Cysteic acid|3-Sulfoalanine|2-Amino-3-sulfopropionic acid	C3H6NO5S	C00506	Lcyst	iYO844:Lcyst	-1	-206.40	0.79														
cpd00396	L-Rhamnose|6-Deoxy-L-mannose|L-Mannomethylose	C6H12O5	C00507	rmn	iJR904:rmn|iYO844:rmn|iAF1260:rmn	0	-182.05	1.50														
cpd00397	L-Ribulose|L-erythro-Pentulose|L-Arabinoketose|L-Arabinulose|L-Riboketose|L-ribulose	C5H10O5	C00508	rbl-L	iJR904:rbl-L|iAG612:cbs_383|iYO844:rbl-L|iNJ661:rbl-L|iSB619:rbl-L|iAF1260:rbl-L	0	-180.95	1.22														
cpd00400	Propenoate|Acrylic acid|Acrylate|2-Propenoic acid|Vinylformic acid	C3H3O2	C00511	NOT IN MODEL	iIT341:acryl	-1	-64.98	0.48														
cpd00402	CDP-glycerol|CDPglycerol	C12H19N3O13P2	C00513	cdpglyc	iAO358:cll_362|iYO844:cdpglyc|iSB619:cdpglyc	-2	-608.06	2.03														
cpd00403	D-Mannonate|D-mannonate	C6H11O7	C00514	mana	iJR904:mana|iAO358:cll_384|iAG612:cbs_291|iYO844:mana|iAF1260:mana	-1	-268.66	0.89														
cpd00408	(R)-Pantoate|Pantoate|Pantoic acid|R-Pantoate|(R)-pantoate	C6H11O4	C00522	pant-R	iJR904:pant-R|iAO358:cll_300|iAF692:pant-R|iSB619:pant-R|iAF1260:pant-R|iIT341:pant_R|iAbaylyiv4:L-PANTOATE|iND750:pant-R|iYO844:pant-R|iNJ661:pant-R|iJN746:pant-R	-1	-159.58	0.49														
cpd00412	Deoxyuridine|2-Deoxyuridine|2'-Deoxyuridine|deoxyuridine	C9H12N2O5	C00526	duri	iJR904:duri|iAO358:cll_104|iAG612:cbs_275|iAF692:duri|iSB619:duri|iAF1260:duri|iIT341:duri|iAbaylyiv4:DEOXYURIDINE|iND750:duri|iYO844:duri|iPS189:duri|iNJ661:duri	0	-145.43	1.80														
cpd00415	"p-Benzenediol|Hydroquinone|1,4-Benzenediol|1,4-Dihydroxybenzene|Benzene-1,4-diol|Quinol|4-Hydroxyphenol|Benzosemiquinone|p-Benzosemiquinone|hydroquinone"	C6H6O2	C00530|C02389|C15603	hqn	iJR904:hqn|iAO358:cll_90|iAG612:cbs_207|iYO844:hqn|iAF1260:hqn	0	-49.38	0.88														
cpd00417	L-Arabitol|L-Arabinol|L-Arabinitol|L-Lyxitol	C5H12O5	C00532	abt-L	iYO844:abt-L|iND750:abt	0	-189.02	0.80														
cpd00418	Nitric oxide|NO|Nitrogen monoxide|Nitricoxide	NO	C00533	NOT IN MODEL	iIT341:no|iNJ661:no|iAF1260:no	0	UNKNOWN	0.72														
cpd00421	Triphosphate|Inorganic triphosphate|Tripolyphosphate	HO10P3	C00536	pppi	iJR904:pppi|iAF692:pppi|iSB619:pppi|iAF1260:pppi|iAbaylyiv4:P3I|iYO844:pppi|iNJ661:pppi|iPS189:pppi|iJN746:pppi	-4	UNKNOWN	UNKNOWN														
cpd00423	Cob(II)alamin|Vitamin B12r	C62H89CoN13O14P	C00541	cbl2	iYO844:cbl2	1	UNKNOWN	UNKNOWN														
cpd00424	Cystathionine|L-Cystathionine|cystathionine	C7H14N2O4S	C00542|C02291	cysth-L	iJR904:cysth-L|iAO358:cll_270|iAG612:cbs_250|iSB619:cyst-L|iAF1260:cysth-L|iIT341:cyst_L|iAbaylyiv4:L-CYSTATHIONINE|iND750:cysth-L|iYO844:cysth-L|iNJ661:cyst-L|iJN746:cyst-L	0	-154.91	0.96														
cpd00425	Dimethylamine|(CH3)2NH|dimethylamine	C2H8N	C00543	NOT IN MODEL	iAF692:dma	1	-1.35	0.93														
cpd00428	Methylglyoxal|Pyruvaldehyde|Pyruvic aldehyde|2-Ketopropionaldehyde|2-Oxopropanal|methylglyoxal	C3H4O2	C00546	mthgxl	iJR904:mthgxl|iAbaylyiv4:METHYL-GLYOXAL|iYO844:mthgxl|iND750:mthgxl|iAF1260:mthgxl	0	-59.99	0.32														
cpd00430	"Phenyl acetate|Acetylphenol|Acetic acid,phenyl ester|Phenylacetic acid|Benzylformic acid|Phenylacetate|Benzeneacetiic acid|Benzylformate|Phenylaceticacid|phenylacetate|PACT"	C8H8O2	C00548|C05613|C07086|C15583	NOT IN MODEL	iIT341:pac|iJR904:pac|iAO358:cll_478:cll_479|iAF692:pac|iND750:pac|iNJ661:pac|iAF1260:pac|iJN746:pac	0	-47.35	0.89														
cpd00432	meso-Tartaric acid|meso-Tartrate	C4H4O6	C00552	tartr-M	iYO844:tartr-M	-2	-239.04	0.45														
cpd00434	"4-Aminobutanal|4-Aminobutyraldehyde|Butyraldehyde, 4-amino-"	C4H10NO	C00555	4abutn	iJR904:4abutn|iYO844:4abutn|iND750:4abutn|iAF1260:4abutn	1	-31.79	0.37														
cpd00437	D-Tagaturonate|D-tagaturonate|D-Tagaturonic acid	C6H9O7	C00558	tagur	iJR904:tagur|iAO358:cll_383|iAG612:cbs_294|iYO844:tagur|iAF1260:tagur	-1	-262.39	1.30														
cpd00438	Deoxyadenosine|2'-Deoxyadenosine|deoxyadenosine	C10H13N5O3	C00559	dad-2	iJR904:dad-2|iAO358:cll_16|iAG612:cbs_272|iSB619:dad-2|iAF1260:dad-2|iIT341:dad_2|iAbaylyiv4:DEOXYADENOSINE|iND750:dad-2|iYO844:dad-2|iPS189:dad-2|iNJ661:dad-2|iJN746:dad-2	0	-5.51	2.99														
cpd00443	4-Aminobenzoate|ABEE|4-Aminobenzoic acid|p-Aminobenzoate|4-aminobenzoate|p-aminobenzoate	C7H6NO2	C00568	4abz	iJR904:4abz|iAO358:cll_186|iAF692:4abz|iSB619:4abz|iAF1260:4abz|iIT341:4abz|iAbaylyiv4:P-AMINO-BENZOATE|iND750:4abz|iYO844:4abz|iNJ661:4abz|iJN746:4abz	-1	-48.99	0.95														
cpd00446	"3',5'-Cyclic AMP|Cyclic adenylic acid|Cyclic AMP|Adenosine 3',5'-phosphate|cAMP"	C10H11N5O6P	C00575	NOT IN MODEL	iJR904:camp|iAF692:camp|iND750:camp|iNJ661:camp|iAF1260:camp|iJN746:camp	-1	-191.87	3.80														
cpd00447	Betaine aldehyde|betaine aldehyde	C5H12NO	C00576	betald	iJR904:betald|iAbaylyiv4:BETAINE_ALDEHYDE|iYO844:betald|iNJ661:betald|iSB619:betald|iAF1260:betald|iJN746:betald	1	21.67	1.97														
cpd00448	D-Glyceraldehyde	C3H6O3	C00577	glyald	iIT341:glyald|iJR904:glyald|iAbaylyiv4:GLYCERALD|iAF692:glyald|iYO844:glyald|iND750:glyald|iPS189:glyald|iSB619:glyald|iAF1260:glyald|iJN746:glyald	0	-106.70	0.35														
cpd00449	Dihydrolipoamide|Dihydrothioctamide|dihydrolipoamide|Dihydrolipoamide-E|Enzyme N6-(dihydrolipoyl)lysine	C8H17NOS2	C00579|C15973	NOT IN MODEL	iAO358:cll_308|iND750:dhlam|iNJ661:dhlam|iSB619:dhlam|iJN746:dhlam	0	-27.35	1.48														
cpd00457	Choline phosphate|Phosphorylcholine|Phosphocholine|O-Phosphocholine	C5H14NO4P	C00588	NOT IN MODEL	iND750:cholp|iPS189:cholp	0	-200.31	1.97														
cpd00464	Phenylacetaldehyde|alpha-Tolualdehyde|phenylacetaldehyde	C8H8O	C00601	NOT IN MODEL	iJR904:pacald|iAO358:cll_305|iND750:pacald|iNJ661:pacald|iAF1260:pacald	0	2.82	0.80														
cpd00464	Phenylacetaldehyde|alpha-Tolualdehyde|phenylacetaldehyde	0	C8H8O	NOT IN MODEL	iJR904:pacald|iAO358:cll_305|iND750:pacald|iNJ661:pacald|iAF1260:pacald	1	C00601															
cpd00465	(-)-Ureidoglycolate|(S)-Ureidoglycolate|Ureidoglycolate|ureidoglycolate|(s)-ureidoglycolate	C3H5N2O4	C00603|C05241	urdglyc	iJR904:urdglyc|iAbaylyiv4:CPD-1091|iAG612:cbs_526|iYO844:urdglyc|iND750:urdglyc|iAF1260:urdglyc	-1	-163.98	0.97														
cpd00470	N1-Acetylspermidine	C9H23N3O	C00612	N1aspmd	iJR904:N1aspmd|iYO844:N1aspmd|iND750:N1aspmd|iAF1260:N1aspmd	2	-24.81	1.29														
cpd00475	alpha-D-Ribose 1-phosphate|Ribose 1-phosphate|D-Ribose 1-phosphate|alpha-D-Ribose1-phosphate|D-ribose-1-phosphate|D-ribose 1-phosphate	C5H10O8P	C00620	r1p	iJR904:r1p|iAO358:cll_147|iAG612:cbs_175|iSB619:r1p|iAF1260:r1p|iIT341:r1p|iND750:r1p|iYO844:r1p|iNJ661:r1p|iPS189:r1p|iJN746:r1p	-1	-394.12	1.32														
cpd00477	N-Acetyl-L-glutamate|N-Acetyl-L-glutamic acid|N-acetyl-L-glutamate|n-acetyl-l-glutamate	C7H9NO5	C00624	acglu	iJR904:acglu|iAO358:cll_59|iAG612:cbs_160|iAF692:acglu|iSB619:acglu|iAF1260:acglu|iAbaylyiv4:ACETYL-GLU|iND750:acglu|iYO844:acglu|iNJ661:acglu|iJN746:acglu	-2	-193.73	0.73														
cpd00481	2-Methylpropanoyl-CoA|2-Methylpropionyl-CoA|Isobutyryl-CoA|isobutyryl-CoA	C25H39N7O17P3S	C00630	ibcoa	iAG612:cbs_91|iAF692:ibcoa|iYO844:ibcoa|iSB619:ibcoa|iJN746:ibcoa	-3	-784.40	3.56														
cpd00482	2-Phospho-D-glycerate|D-Glycerate 2-phosphate|D-Glycerate2-phosphate|2-phospho-D-glycerate	C3H5O7P	C00631	2pg	iJR904:2pg|iAO358:cll_165|iAG612:cbs_106|iAF692:2pg|iSB619:2pg|iAF1260:2pg|iIT341:2pg|iAbaylyiv4:2-PG|iND750:2pg|iYO844:2pg|iPS189:2pg|iNJ661:2pg|iJN746:2pg	-2	-371.90	0.29														
cpd00485	D-Mannose 1-phosphate|alpha-D-Mannose 1-phosphate|D-Mannose1-phosphate	C6H12O9P	C00636	man1p	iJR904:man1p|iAF692:man1p|iSB619:man1p|iAF1260:man1p|iIT341:man1p|iAbaylyiv4:MANNOSE-1P|iND750:man1p|iYO844:man1p|iPS189:man1p|iNJ661:man1p	-1	-430.78	1.51														
cpd00489	4-Hydroxyphenylacetate|4-Hydroxyphenylacetic acid|4-Hydroxyphenyl acetate|4-hydroxyphenylacetate	C8H7O3	C00642|C13636	NOT IN MODEL	iAO358:cll_460|iAF692:4hphac	-1	-89.36	0.87														
cpd00491	D-Mannitol 1-phosphate|D-mannitol-1-phosphate|D-mannitol 1-phosphate	C6H14O9P	C00644	mnl1p	iJR904:mnl1p|iAO358:cll_278|iAG612:cbs_305|iYO844:mnl1p|iND750:mnl1p|iPS189:mnl1p|iSB619:mnl1p|iAF1260:mnl1p	-1	-437.94	0.91														
cpd00492	N-Acetyl-D-mannosamine|2-Acetamido-2-deoxy-D-mannose	C8H15NO6	C00645	acmana	iJR904:acmana|iAF692:acmana|iYO844:acmana|iSB619:acmana|iAF1260:acmana	0	-212.63	1.63														
cpd00497	Xanthosine 5'-phosphate|Xanthylic acid|XMP|(9-D-Ribosylxanthine)-5'-phosphate|Xanthosine5-phosphate|xanthosine-5-phosphate	C10H12N4O9P	C00655	xmp	iJR904:xmp|iAO358:cll_219|iAG612:cbs_228|iAF692:xmp|iSB619:xmp|iAF1260:xmp|iIT341:xmp|iAbaylyiv4:XANTHOSINE-5-PHOSPHATE|iND750:xmp|iYO844:xmp|iNJ661:xmp|iJN746:xmp	-1	-364.43	2.78														
cpd00501	beta-D-Glucose 1-phosphate|beta-D-glucose 1-phosphate	C6H12O9P	C00663	g1p-B	iAO358:cll_261|iYO844:g1p-B	-1	-430.78	1.51														
cpd00504	"LL-2,6-Diaminoheptanedioate|LL-2,6-Diaminopimelate|LL-2,6-Diaminopimelic acid|LL-2,6-diaminopimelate|LL-2,6-diaminoheptanedioate|LL-2-6-Diaminoheptanedioate"	C7H14N2O4	C00666	26dap-LL	iJR904:26dap-LL|iAO358:cll_312|iAG612:cbs_427|iSB619:26dap-LL|iAF1260:26dap-LL|iIT341:26dap_LL|iAbaylyiv4:LL-DIAMINOPIMELATE|iYO844:26dap-LL|iNJ661:26dap-LL|iJN746:26dap-LL	0	-163.68	0.60														
cpd00507	sn-glycero-3-Phosphocholine|Glycerophosphocholine|sn-Glycero-3-phosphocholine	C8H20NO6P	C00670	g3pc	iJR904:g3pc|iYO844:g3pc|iSB619:g3pc|iAF1260:g3pc	0	-254.99	2.06														
cpd00508	(S)-3-Methyl-2-oxopentanoic acid|3-Methyl-2-oxopentanoate|(S)-3-Methyl-2-oxopentanoate|(3S)-3-Methyl-2-oxopentanoic acid|(3S)-3-Methyl-2-oxopentanoate|S-3-Methyl-2-oxopentanoate|3MOP|2-Oxo-3-methylvalerate|3-methyl-2-oxopentanoate|2-keto-3-methylvalerate|2-keto-3-methyl-valerate	C6H9O3	C00671|C03465	3mop	iJR904:3mop|iAO358:cll_51:cll_436|iAG612:cbs_56|iAF692:3mop|iSB619:3mop|iAF1260:3mop|iIT341:3mop|iAbaylyiv4:2-KETO-3-METHYL-VALERATE|iND750:3mop|iYO844:3mop|iNJ661:3mop|iJN746:3mop	-1	-109.64	0.40														
cpd00509	2-Deoxy-D-ribose 1-phosphate|2-Deoxy-alpha-D-ribose 1-phosphate|2-Deoxy-D-ribose1-phosphate|2-deoxy-D-ribose 1-phosphate|deoxyribose-1-phosphate	C5H10O7P	C00672	2dr1p	iJR904:2dr1p|iAO358:cll_144|iAG612:cbs_273|iAF692:2dr1p|iSB619:2dr1p|iAF1260:2dr1p|iIT341:2dr1p|iND750:2dr1p|iYO844:2dr1p|iPS189:2dr1p|iNJ661:2dr1p	-1	-354.28	1.18														
cpd00510	2-Deoxy-D-ribose 5-phosphate|2-Deoxy-D-ribose5-phosphate|2-deoxy-D-ribose 5-phosphate|deoxyribose-5-phosphate	C5H10O7P	C00673	2dr5p	iJR904:2dr5p|iAO358:cll_145|iAG612:cbs_280|iSB619:2dr5p|iAF1260:2dr5p|iIT341:2dr5p|iND750:2dr5p|iYO844:2dr5p|iNJ661:2dr5p|iPS189:2dr5p	-1	-354.28	1.18														
cpd00515	5-Dehydro-4-deoxy-D-glucarate	C6H6O7	C00679	5d4dglcr	iJR904:5dh4dglc|iAbaylyiv4:5-KETO-4-DEOXY-D-GLUCARATE|iYO844:5d4dglcr|iAF1260:5dh4dglc	-2	-263.36	0.53														
cpd00516	"meso-2,6-Diaminoheptanedioate|meso-2,6-Diaminopimelate|meso-2,6-Diaminopimelic acid|meso-Diaminoheptanedioate|meso-2,6-diaminopimelate|meso-2,6-diaminoheptanedioate|meso-2-6-Diaminoheptanedioate"	C7H14N2O4	C00680	26dap-M	iJR904:26dap-M|iAO358:cll_257|iAG612:cbs_428|iAF692:26dap-M|iSB619:26dap-M|iAF1260:26dap-M|iIT341:26dap_M|iAbaylyiv4:MESO-DIAMINOPIMELATE|iYO844:26dap-M|iNJ661:26dap-M|iJN746:26dap-M	0	-163.68	0.60														
cpd00519	(S)-2-Methyl-3-oxopropanoyl-CoA|(S)-2-Methyl-3-oxopropionyl-CoA|(S)-Methylmalonyl-CoA|(S)-Methylmalonyl-coenzyme A|(S)-3-Oxo-2-methylpropanoyl-CoA|D-methylmalonyl-CoA|D-Methylmalonyl-CoA	C25H36N7O19P3S	C00683	mmcoa-S	iJR904:mmcoa-S|iAG612:cbs_308|iYO844:mmcoa-S|iNJ661:mmcoa-S|iAF1260:mmcoa-S	-4	-863.85	3.55														
cpd00521	"dTDP-4-dehydro-6-deoxy-alpha-D-glucose|dTDP-4-oxo-6-deoxy-alpha-D-glucose|4,6-Dideoxy-4-oxo-dTDP-D-glucose|dTDP-4-oxo-6-deoxy-D-glucose|dTDP-4-dehydro-6-deoxy-D-glucose|dTDP-4-dehydro-6-deoxy-alpha-D-galactose|dTDP-4-dehydro-6-deoxy-D-galactose|dtdp-4-dehydro-6-deoxy-d-glucose"	C16H22N2O15P2	C00687|C11907	NOT IN MODEL	iJR904:dtdp4d6dg|iAbaylyiv4:DTDP-DEOH-DEOXY-GLUCOSE|iAO358:cll_129|iAF692:dtdp4d6dg|iNJ661:dtdp4d6dg|iAF1260:dtdp4d6dg	-2	-680.33	2.86														
cpd00523	"alpha,alpha'-Trehalose 6-phosphate|Trehalose 6-phosphate|trehalose 6-phosphate|D-trehalose-6-phosphate"	C12H22O14P	C00689	tre6p	iJR904:tre6p|iAO358:cll_370|iAG612:cbs_318|iSB619:tre6p|iAF1260:tre6p|iAbaylyiv4:TREHALOSE-6P|iND750:tre6p|iYO844:tre6p|iPS189:tre6p|iNJ661:tre6p	-1	-589.26	2.99														
cpd00524	"2,4,6/3,5-Pentahydroxycyclohexanone|scyllo-Inosose|2-Inosose|2-inosose"	C6H10O6	C00691	2ins	iAG612:cbs_75|iAF692:2ins|iYO844:2ins|iPS189:2ins	0	-213.40	1.28														
cpd00525	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate|udp-n-acetylmuramoyl-l-alanyl-d-glutamate	C28H39N5O23P2	C00692	uamag	iJR904:uamag|iAO358:cll_283|iSB619:uamag|iAF1260:uamag|iIT341:uamag|iAbaylyiv4:UDP-AA-GLUTAMATE|iYO844:uamag|iNJ661:uamag|iJN746:uamag	-4	-958.02	3.91														
cpd00526	"3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate|Cholate|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid|Cholic acid"	C24H39O5	C00695	NOT IN MODEL		-1	-165.99	7.11														
cpd00530	XTP	C10H12N4O15P3	C00700	NOT IN MODEL	iPS189:xtp|iAF1260:xtp	-3	-780.43	2.80														
cpd00531	Hg2+|Mercury (charged +2)|Mercury(2+)|Mercuric ion	Hg	C00703	hg2	iYO844:hg2|iAF1260:hg2	2	UNKNOWN	UNKNOWN														
cpd00532	O2.-|Superoxide anion|Superoxide|O2-|Superoxideanion|superoxide	HO2	C00704	o2-	iJR904:o2-|iAO358:cll_361|iAF692:o2-|iSB619:o2-|iAF1260:o2s|iIT341:o2s|iAbaylyiv4:SUPER-OXIDE|iYO844:o2-|iNJ661:o2s	0	3.92	0.50														
cpd00533	dCDP|2'-Deoxycytidine diphosphate|2'-Deoxycytidine 5'-diphosphate|dcdp	C9H13N3O10P2	C00705	dcdp	iJR904:dcdp|iAO358:cll_127|iAG612:cbs_264|iAF692:dcdp|iSB619:dcdp|iAF1260:dcdp|iIT341:dcdp|iAbaylyiv4:DCDP|iND750:dcdp|iYO844:dcdp|iPS189:dcdp|iNJ661:dcdp|iJN746:dcdp	-2	-513.54	1.84														
cpd00540	"Betaine|Trimethylaminoacetate|Glycine betaine|N,N,N-Trimethylglycine|Trimethylammonioacetate|betaine|BET"	C5H11NO2	C00719	glyb	iJR904:glyb|iAO358:cll_97:cll_98|iAF692:glyb|iSB619:glyb|iAF1260:glyb|iAbaylyiv4:BETAINE|iYO844:glyb|iNJ661:glyb|iJN746:glyb	0	-31.03	1.96														
cpd00541	Lipoate|Lipoic acid|alpha-Lipoic acid|Thioctic acid	C8H13O2S2	C00725	lipt	iYO844:lipt	-1	-63.98	1.56														
cpd00550	D-Serine|d-serine	C3H7NO3	C00740	ser-D	iIT341:ser_D|iJR904:ser-D|iAbaylyiv4:D-SERINE|iYO844:ser-D|iNJ661:ser-D|iAF1260:ser-D	0	-124.15	0.31														
cpd00557	Siroheme|siroheme	C42H36FeN4O16	C00748	sheme	iJR904:sheme|iAbaylyiv4:SIROHEME|iAF692:sheme|iYO844:sheme|iNJ661:sheme|iSB619:sheme|iAF1260:sheme|iJN746:sheme	-8	UNKNOWN	UNKNOWN														
cpd00558	"Spermine|N,N'-Bis(3-aminopropyl)-1,4-butanediamine|SPRM"	C10H30N4	C00750	sprm	iIT341:sprm|iAO358:cll_318|iYO844:sprm|iND750:sprm	4	15.60	2.04														
cpd00581	Urocanate|Urocanic acid|urocanate	C6H5N2O2	C00785	urcan	iAbaylyiv4:UROCANATE|iAG612:cbs_416|iYO844:urcan|iSB619:urcan|iJN746:urcan	-1	-26.85	1.30														
cpd00588	D-Sorbitol|D-Glucitol|L-Gulitol|Sorbitol|D-sorbitol	C6H14O6	C00794	sbt-D	iJR904:sbt-D|iAG612:cbs_314:cbs_510|iYO844:sbt-D|iND750:sbt-D|iSB619:sbt-D|iAF1260:sbt-D	0	-225.44	0.99														
cpd00599	Salicylate|o-Hydroxybenzoic acid|Salicylic acid|SALC|salicylate	C7H5O3	C00805	NOT IN MODEL	iAbaylyiv4:CPD-110|iAO358:cll_325|iNJ661:salc	-1	-92.53	0.89														
cpd00608	D-Altronate|D-altronate|D-altronatete	C6H11O7	C00817	altrn	iJR904:altrn|iAO358:cll_385|iAG612:cbs_262|iYO844:altrn|iAF1260:altrn	-1	-268.66	0.89														
cpd00609	D-Glucarate|D-Glucaric acid|L-Gularic acid|d-Saccharic acid|D-Glucosaccharic acid|d-glucarate	C6H8O8	C00818	glcr	iJR904:glcr|iAbaylyiv4:D-GLUCARATE|iYO844:glcr|iAF1260:glcr	-2	-311.88	0.82														
cpd00616	L-Arogenate|L-Arogenic acid|Pretyrosine|l-arogenate	C10H12NO5	C00826	NOT IN MODEL	iAbaylyiv4:CPD-659	-1	-161.40	1.32														
cpd00626	dTDP-glucose|dTDP-D-glucose|dTDPglucose|dTDP-alpha-D-glucose|dtdp-d-glucose	C16H24N2O16P2	C00842	NOT IN MODEL	iJR904:dtdpglu|iAbaylyiv4:DTDP-D-GLUCOSE|iAO358:cll_356|iAF692:dtdpglu|iNJ661:dtdpglu|iAF1260:dtdpglu	-2	-723.12	2.95														
cpd00637	D-Methionine|D-2-Amino-4-(methylthio)butyric acid|d-methionine	C5H11NO2S	C00855	met-D	iJR904:met-D|iAbaylyiv4:CPD-218|iYO844:met-D|iAF1260:met-D	0	-75.91	0.82														
cpd00638	Deamino-NAD+|Deamido-NAD+|Deamido-NAD|deamido-NAD+|deamido-nad	C21H24N6O15P2	C00857	dnad	iJR904:dnad|iAO358:cll_288|iAF692:dnad|iSB619:dnad|iAF1260:dnad|iIT341:dnad|iAbaylyiv4:DEAMIDO-NAD|iND750:dnad|iYO844:dnad|iPS189:dnad|iNJ661:dnad|iJN746:dnad	-2	-572.03	4.30														
cpd00641	L-Histidinol|L-histidinol	C6H12N3O	C00860	histd	iJR904:histd|iAO358:cll_226|iAG612:cbs_417|iAF692:histd|iSB619:histd|iAF1260:histd|iAbaylyiv4:HISTIDINOL|iND750:histd|iYO844:histd|iNJ661:histd|iJN746:histd	1	-2.41	1.14														
cpd00642	L-Rhamnulose	C6H12O5	C00861	rml	iJR904:rml|iYO844:rml|iAF1260:rml	0	-181.19	0.72														
cpd00644	Pantothenate|Pantothenic acid|(R)-Pantothenate|R-Pantothenate|pantothenate|PAN	C9H16NO5	C00864	pnto-R	iJR904:pnto-R|iAO358:cll_128:cll_480|iAF692:pnto-R|iSB619:pnto-R|iAF1260:pnto-R|iIT341:pnto_R|iAbaylyiv4:PANTOTHENATE|iND750:pnto-R|iYO844:pnto-R|iNJ661:pnto-R|iJN746:pnto-R	-1	-188.54	0.85														
cpd00646	4-Nitrophenol|p-Nitrophenol|PNP|Niphen|4-Hydroxynitrobenzene	C6H5NO3	C00870	NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd00650	Crotonoyl-CoA|Crotonyl-CoA|2-Butenoyl-CoA|trans-But-2-enoyl-CoA|But-2-enoyl-CoA|crotonyl-coa	C25H37N7O17P3S	C00877	b2coa	iAbaylyiv4:CROTONYL-COA|iYO844:b2coa|iSB619:b2coa|iAF1260:b2coa|iJN746:b2coa	-3	-761.78	3.58														
cpd00652	D-Galactarate|D-Mucic acid|D-Galactaric acid|d-galactarate	C6H8O8	C00879	galctr-D	iJR904:galct-D|iAbaylyiv4:D-GALACTARATE|iYO844:galctr-D|iAF1260:galct-D	-2	-311.88	0.82														
cpd00654	Deoxycytidine|2'-Deoxycytidine|deoxycytidine	C9H13N3O4	C00881	dcyt	iJR904:dcyt|iAO358:cll_103|iAG612:cbs_268|iAF1260:dcyt|iIT341:dcyt|iAbaylyiv4:DEOXYCYTIDINE|iND750:dcyt|iYO844:dcyt|iPS189:dcyt|iNJ661:dcyt|iJN746:dcyt	0	-93.04	1.84														
cpd00655	Dephospho-CoA|dephospho-CoA|dephospho-coa	C21H33N7O13P2S	C00882	dpcoa	iJR904:dpcoa|iAO358:cll_246|iAF692:dpcoa|iSB619:dpcoa|iAF1260:dpcoa|iIT341:dpcoa|iAbaylyiv4:DEPHOSPHO-COA|iND750:dpcoa|iYO844:dpcoa|iNJ661:dpcoa|iJN746:dpcoa	-2	-539.49	3.46														
cpd00658	Isochorismate|Isochorismic acid|isochorismate	C10H8O6	C00885	ichor	iJR904:ichor|iAO358:cll_267|iSB619:ichor|iAF1260:ichor|iIT341:ichor|iAbaylyiv4:ISOCHORISMATE|iYO844:ichor|iNJ661:ichor	-2	-169.49	1.41														
cpd00666	"(R,R)-Tartaric acid|(R,R)-Tartrate|L-Tartaric acid|Tartaric acid|Tartrate|2,3-Dihydroxybutanedioic acid|(2R,3R)-Tartaric acid|(+)-Tartaric acid|L-tartrate|(S,S)-Tartaric acid|(S,S)-Tartrate|D-Tartrate|D-Tartaric acid|(2S,3S)-Tartaric acid|(-)-Tartaric acid|L-tartarate"	C4H4O6	C00898|C02107	tartr-L	iJR904:tartr-L|iYO844:tartr-L|iNJ661:tartr-L|iAF1260:tartr-L	-2	-239.04	0.45														
cpd00668	2-Acetolactate|(S)-2-Acetolactate|(S)-2-Hydroxy-2-methyl-3-oxobutanoate|S-2-Acetolactate|2-acetolactate|ALCTT|2-aceto-lactate	C5H7O4	C00900|C06010	alac-S	iJR904:alac-S|iAO358:cll_31:cll_442|iAG612:cbs_49|iAF692:alac-S|iSB619:alac-S|iAF1260:alac-S|iIT341:alac_S|iAbaylyiv4:2-ACETO-LACTATE|iND750:alac-S|iYO844:alac-S|iNJ661:alac-S|iJN746:alac-S	-1	-153.18	0.44														
cpd00672	D-Fructuronate|D-fructuronate|D-Fructuronic acid	C6H9O7	C00905	fruur	iJR904:fruur|iAO358:cll_381|iAG612:cbs_290|iYO844:fruur|iAF1260:fruur	-1	-262.39	1.30														
cpd00679	Cephalosporin C	C16H20N3O8S	C00916	NOT IN MODEL		-1	-256.55	1.98														
cpd00681	Choline sulfate	C5H13NO4S	C00919	chols	iYO844:chols|iJN746:chols	0	-102.31	2.09														
cpd00683	"Dihydropteroate|7,8-Dihydropteroate|dihydropteroate|7,8-dihydropteroate"	C14H13N6O3	C00921	dhpt	"iJR904:dhpt|iAO358:cll_180|iAF692:dhpt|iSB619:dhpt|iAF1260:dhpt|iIT341:dhpt|iAbaylyiv4:7,8-DIHYDROPTEROATE|iND750:dhpt|iYO844:dhpt|iNJ661:dhpt|iJN746:dhpt"	-1	-2.14	2.78														
cpd00689	Porphobilinogen|porphobilinogen	C10H13N2O4	C00931	ppbng	iJR904:ppbng|iAF692:ppbng|iSB619:ppbng|iAF1260:ppbng|iIT341:ppbng|iAbaylyiv4:PORPHOBILINOGEN|iND750:ppbng|iYO844:ppbng|iNJ661:ppbng|iJN746:ppbng	-1	-118.18	1.37														
cpd00699	3-Dehydroquinate|5-Dehydroquinate|3-Dehydroquinic acid|5-Dehydroquinic acid|3-dehydroquinate	C7H9O6	C00944	3dhq	iJR904:3dhq|iAO358:cll_71|iAG612:cbs_70|iAF692:3dhq|iSB619:3dhq|iAF1260:3dhq|iIT341:3dhq|iAbaylyiv4:DEHYDROQUINATE|iND750:3dhq|iYO844:3dhq|iNJ661:3dhq|iJN746:3dhq	-1	-214.49	0.92														
cpd00700	Adenosine 2'-phosphate|2'-Adenylic acid|Adenosine-2'-monophosphate|AMP 2'-phosphate	C10H13N5O7P	C00946	NOT IN MODEL		-1	-257.85	3.03														
cpd00703	Indole-3-acetate|Indole-3-acetic acid|(Indol-3-yl)acetate|Indoleacetate|Indoleacetic acid	C10H8NO2	C00954	NOT IN MODEL	iAF692:ind3ac|iND750:ind3ac	-1	-23.83	1.56														
cpd00712	2-Dehydropantoate|2-dehydropantoate	C6H9O4	C00966	2dhp	iJR904:2dhp|iAO358:cll_301|iAF692:2dhp|iSB619:2dhp|iAF1260:2dhp|iIT341:2dhp|iAbaylyiv4:2-DEHYDROPANTOATE|iND750:2dhp|iYO844:2dhp|iNJ661:2dhp|iJN746:2dhp	-1	-149.10	0.49														
cpd00722	O-Acetyl-L-serine|O3-Acetyl-L-serine|O-acetyl-L-serine|o-acetyl-l-serine	C5H9NO4	C00979	acser	iJR904:acser|iAO358:cll_136|iAG612:cbs_164|iAF692:acser|iSB619:acser|iAF1260:acser|iIT341:acser|iAbaylyiv4:ACETYLSERINE|iND750:acser|iYO844:acser|iNJ661:acser|iJN746:acser	0	-161.60	0.52														
cpd00727	2-Phosphoglycolate|Phosphoglycolic acid|2-phosphoglycolate	C2H3O6P	C00988	2pglyc	iJR904:2pglyc|iAbaylyiv4:CPD-67|iAF692:2pglyc|iYO844:2pglyc|iNJ661:2pglyc|iSB619:2pglyc|iAF1260:2pglyc	-2	-335.48	0.21														
cpd00731	D-Alanyl-D-alanine|D-Ala-D-Ala|D-alanyl-D-alanine|d-alanyl-d-alanine	C6H12N2O3	C00993	alaala	iJR904:alaala|iAO358:cll_143|iSB619:alaala|iAF1260:alaala|iIT341:alaala|iAbaylyiv4:D-ALA-D-ALA|iYO844:alaala|iNJ661:alaala|iJN746:alaala	0	-118.69	0.78														
cpd00738	phosphoserine|O-Phospho-L-serine|L-O-Phosphoserine|3-Phosphoserine|Dexfosfoserine|3-phospho-serine	C3H7NO6P	C01005	pser-L	iJR904:pser-L|iAO358:cll_360|iAG612:cbs_124|iAF692:pser-L|iSB619:pser-L|iAF1260:pser-L|iIT341:pser_L|iAbaylyiv4:3-P-SERINE|iND750:pser-L|iYO844:pser-L|iNJ661:pser-L|iJN746:pser-L	-1	-336.65	0.33														
cpd00739	Reduced riboflavin	C17H22N4O6	C01007	ribflvRD	iYO844:ribflvRD|iSB619:rbflvrd|iAF1260:rbflvrd	0	-133.83	2.49														
cpd00742	Urea-1-carboxylate|Allophanate|Allophanic acid|urea-1-carboxylate	C2H3N2O3	C01010	NOT IN MODEL	iAbaylyiv4:CPD-578|iND750:allphn	-1	-127.56	0.95														
cpd00751	6-Deoxy-L-galactose|L-Fucose	C6H12O5	C01019	NOT IN MODEL	iJR904:fuc-L|iAF1260:fuc-L	0	-182.05	1.50														
cpd00755	Hydroxymethylbilane|hydroxymethylbilane	C40H38N4O17	C01024	hmbil	iJR904:hmbil|iAF692:hmbil|iSB619:hmbil|iAF1260:hmbil|iIT341:hmbil|iAbaylyiv4:HYDROXYMETHYLBILANE|iND750:hmbil|iYO844:hmbil|iNJ661:hmbil|iJN746:hmbil	-8	-479.50	6.22														
cpd00760	2-Methylbutanoyl-CoA|2-Methylbutyryl-CoA|2-methylbutyryl-CoA|(S)-2-Methylbutanoyl-CoA|M_2_Methyl_butyryl_CoA	C26H41N7O17P3S	C01033|C15980	2mbcoa	iAG612:cbs_84|iYO844:2mbcoa|iNJ661:2mbcoa|iSB619:2mbcoa|iJN746:2mbcoa	-3	-782.78	3.57														
cpd00762	4-Guanidinobutanoate|4-guanidinobutanoate	C5H11N3O2	C01035	NOT IN MODEL	iAbaylyiv4:CPD-592|iND750:4gudbutn|iJN746:4gudbutn	0	-72.60	1.54														
cpd00764	"7,8-Diaminononanoate|7-8-Diaminononanoate|7,8-diaminononanoate"	C9H21N2O2	C01037	dann	iJR904:dann|iAF692:dann|iSB619:dann|iAF1260:dann|iIT341:dann|iAbaylyiv4:DIAMINONONANOATE|iND750:dann|iYO844:dann|iNJ661:dann	1	-80.99	0.68														
cpd00765	"L-Gulono-1,4-lactone|L-Gulono-gamma-lactone|gamma-Gulonolactone|L-Gulonic acid gamma-lactone|L-Gulonolactone"	C6H10O6	C01040	NOT IN MODEL		0	-215.78	1.15														
cpd00769	N-Formyl-L-aspartate	C5H5NO5	C01044	NOT IN MODEL		-2	-193.70	0.70														
cpd00770	N-Formyl-L-glutamate	C6H7NO5	C01045	NOT IN MODEL	iJN746:Nforglu	-2	-192.08	0.72														
cpd00773	UDP-N-acetylmuramate|UDP-N-acetylmuramic acid|UDP-MurNAc|udp-n-acetylmuramate	C20H28N3O19P2	C01050	uamr	iJR904:uamr|iAO358:cll_280|iAF692:uamr|iSB619:uamr|iAF1260:uamr|iIT341:uamr|iAbaylyiv4:UDP-N-ACETYLMURAMATE|iYO844:uamr|iNJ661:uamr|iJN746:uamr	-3	-820.27	3.25														
cpd00774	Uroporphyrinogen III|UroporphyrinogenIII|uroporphyrinogen-iii	C40H36N4O16	C01051	uppg3	iJR904:uppg3|iAF692:uppg3|iSB619:uppg3|iAF1260:uppg3|iIT341:uppg3|iAbaylyiv4:UROPORPHYRINOGEN-III|iND750:uppg3|iYO844:uppg3|iNJ661:uppg3|iJN746:uppg3	-8	UNKNOWN	UNKNOWN														
cpd00782	6-Carboxyhexanoyl-CoA|Pimeloyl-CoA|6-carboxyhexanoyl-coa	C28H42N7O19P3S	C01063	pmcoa	iIT341:pmcoa|iJR904:pmcoa|iAbaylyiv4:6-CARBOXYHEXANOYL-COA|iAF692:pmcoa|iYO844:pmcoa|iNJ661:pmcoa|iSB619:pmcoa|iAF1260:pmcoa	-4	-857.18	3.62														
cpd00791	Protoporphyrinogen IX|ProtoporphyrinogenIX	C34H38N4O4	C01079	pppg9	iIT341:pppg9|iJR904:pppg9|iAbaylyiv4:PROTOPORPHYRINOGEN|iYO844:pppg9|iND750:pppg9|iNJ661:pppg9|iSB619:pppg9|iAF1260:pppg9|iJN746:pppg9	-2	UNKNOWN	UNKNOWN														
cpd00793	Thiamin monophosphate|Thiamine monophosphate|Thiamin phosphate|Thiamine phosphate|TMP|Thiaminmonophosphate|thiamine monophosphate|thiamine-phosphate	C12H17N4O4PS	C01081	thmmp	iJR904:thmmp|iAO358:cll_366|iAF692:thmmp|iSB619:thmmp|iAF1260:thmmp|iIT341:thmmp|iAbaylyiv4:THIAMINE-P|iND750:thmmp|iYO844:thmmp|iNJ661:thmmp	0	-160.32	2.57														
cpd00794	"alpha,alpha-Trehalose|alpha,alpha'-Trehalose|Trehalose|trehalose|TRHL"	C12H22O11	C01083	tre	iJR904:tre|iAO358:cll_410|iAG612:cbs_520|iSB619:tre|iAF1260:tre|iAbaylyiv4:TREHALOSE|iND750:tre|iYO844:tre|iPS189:tre|iNJ661:tre	0	-376.76	3.02														
cpd00797	(R)-3-Hydroxybutanoate|(R)-3-Hydroxybutanoic acid|(R)-3-Hydroxybutyric acid|(r)-3-hydroxybutanoate	C4H7O3	C01089	NOT IN MODEL	iAbaylyiv4:CPD-335|iNJ661:bhb|iJN746:bhb	-1	-121.55	0.27														
cpd00800	8-Amino-7-oxononanoate|8-Amino-7-oxononanoic acid|8-amino-7-oxononanoate	C9H17NO3	C01092	8aonn	iJR904:8aonn|iAF692:8aonn|iSB619:8aonn|iAF1260:8aonn|iIT341:8aonn|iAbaylyiv4:8-AMINO-7-OXONONANOATE|iND750:8aonn|iYO844:8aonn|iNJ661:8aonn	0	-108.22	0.56														
cpd00802	D-Fructose 1-phosphate|D-Fructose1-phosphate|D-fructose-1-phosphate|D-fructose 1-phosphate|Fructose 1-phosphate|fructose-1-phosphate	C6H12O9P	C01094|C02976	f1p	iJR904:f1p|iAO358:cll_191|iAG612:cbs_289|iAF692:f1p|iSB619:f1p|iAF1260:f1p|iIT341:f1p|iAbaylyiv4:FRU1P|iND750:f1p|iYO844:f1p|iPS189:f1p|iJN746:f1p	-1	-431.67	1.31														
cpd00805	D-Tagatose 6-phosphate|D-tagatose 6-phosphate	C6H12O9P	C01097	tag6p-D	iJR904:tag6p-D|iAO358:cll_247|iYO844:tag6p-D|iND750:tag6p-D|iSB619:tag6p-D|iAF1260:tag6p-D	-1	-431.67	1.31														
cpd00807	L-Histidinol phosphate|L-histidinol-phosphate|l-histidinol-phosphate	C6H12N3O4P	C01100	hisp	iJR904:hisp|iAO358:cll_225|iAG612:cbs_370|iAF692:hisp|iSB619:hisp|iAF1260:hisp|iAbaylyiv4:L-HISTIDINOL-P|iND750:hisp|iYO844:hisp|iNJ661:hisp|iJN746:hisp	0	-214.91	1.15														
cpd00808	L-Ribulose 5-phosphate|L-ribulose-5-phosphate	C5H10O8P	C01101	ru5p-L	iJR904:ru5p-L|iAG612:cbs_442|iYO844:ru5p-L|iNJ661:ru5p-L|iSB619:ru5p-L|iAF1260:ru5p-L	-1	-393.50	0.57														
cpd00809	O-Phospho-L-homoserine|O-phospho-L-homoserine|o-phospho-l-homoserine	C4H9NO6P	C01102	phom	iJR904:phom|iAO358:cll_368|iAG612:cbs_222|iAF692:phom|iSB619:phom|iAF1260:phom|iIT341:phom|iAbaylyiv4:O-PHOSPHO-L-HOMOSERINE|iND750:phom|iYO844:phom|iNJ661:phom|iJN746:phom	-1	-335.03	0.36														
cpd00810	Orotidine 5'-phosphate|Orotidylic acid|Orotidine5-phosphate|orotidine 5-phosphate|orotidine-5'-phosphate	C10H11N2O11P	C01103	orot5p	iJR904:orot5p|iAO358:cll_342|iAG612:cbs_486|iAF692:orot5p|iSB619:orot5p|iAF1260:orot5p|iIT341:orot5p|iAbaylyiv4:OROTIDINE-5-PHOSPHATE|iND750:orot5p|iYO844:orot5p|iNJ661:orot5p|iJN746:orot5p	-2	-479.18	1.90														
cpd00822	O-Succinyl-L-homoserine|O-succinyl-L-homoserine	C8H12NO6	C01118	suchms	iIT341:suchms|iJR904:suchms|iAO358:cll_269|iYO844:suchms|iND750:suchms|iNJ661:suchms|iSB619:suchms|iAF1260:suchms|iJN746:suchms	-1	-236.19	0.64														
cpd00830	4-Hydroxy-2-oxoglutarate|4-Hydroxy-2-oxoglutaric acid|D-4-Hydroxy-2-oxoglutarate	C5H4O6	C01127|C05946	NOT IN MODEL	iIT341:4h2oglt|iAbaylyiv4:D-4-HYDROXY-2-KETO-GLUTARATE|iND750:4h2oglt	-2	-226.94	0.40														
cpd00831	L-Rhamnulose 1-phosphate	C6H12O8P	C01131	rml1p	iJR904:rml1p|iYO844:rml1p|iAF1260:rml1p	-1	-393.69	0.66														
cpd00832	N-Acetyl-D-galactosamine|N-Acetyl-D-chondrosamine|2-Acetamido-2-deoxy-D-galactose	C8H15NO6	C01132	NOT IN MODEL	iAF1260:acgal	0	-212.63	1.63														
cpd00834	Pantetheine 4'-phosphate|4'-Phosphopantetheine|Phosphopantetheine|D-Pantetheine 4'-phosphate|pantetheine 4'-phosphate|Pantetheine4-phosphate	C11H22N2O7PS	C01134	pan4p	iJR904:pan4p|iAO358:cll_10|iAF692:pan4p|iSB619:pan4p|iAF1260:pan4p|iIT341:pan4p|iAbaylyiv4:PANTETHEINE-P|iND750:pan4p|iYO844:pan4p|iNJ661:pan4p|iJN746:pan4p	-1	-347.64	1.57														
cpd00836	S-Acetyldihydrolipoamide|6-S-Acetyldihydrolipoamide|S-acetyldihydrolipoamide|[Dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine|S-Acetyldihydrolipoamide-E	C10H19NO2S2	C01136|C16255	NOT IN MODEL	iAO358:cll_307|iNJ661:adhlam|iJN746:adhlam	0	-61.18	1.35														
cpd00837	S-Adenosylmethioninamine|(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium salt|S-Adenosyl-(5')-3-methylthiopropylamine	C14H24N6O3S	C01137	ametam	iIT341:ametam|iJR904:ametam|iYO844:ametam|iND750:ametam|iNJ661:ametam|iSB619:ametam|iAF1260:ametam|iJN746:ametam	2	13.01	3.68														
cpd00840	"(3S)-3,6-Diaminohexanoate|L-beta-Lysine"	C6H15N2O2	C01142	36dahx	iAF692:36dahx|iYO844:36dahx	1	-84.04	0.56														
cpd00842	(S)-3-Hydroxybutanoyl-CoA|(S)-3-Hydroxybutyryl-CoA	C25H39N7O18P3S	C01144	3hbycoa	iAbaylyiv4:CPD-650|iYO844:3hbycoa|iSB619:3hbcoa|iAF1260:3hbcoa|iJN746:3hbcoa	-3	-820.63	3.57														
cpd00843	2-Hydroxy-3-oxopropanoate|Tartronate semialdehyde|tartronate semialdehyde	C3H3O4	C01146	2h3opp	iJR904:2h3oppan|iAbaylyiv4:TARTRONATE-S-ALD|iYO844:2h3opp|iAF1260:2h3oppan|iJN746:2h3oppan	-1	-149.92	0.28														
cpd00854	"3,4-Dihydroxyphenylacetate|3,4-Dihydroxyphenylacetic acid|3,4-Dihydroxyphenyl acetate|3,4-Dihydroxyphenyl acetic acid|Homoprotocatechuate"	C8H7O4	C01161	NOT IN MODEL		-1	-128.84	1.07														
cpd00858	L-Glutamate 5-semialdehyde|L-Glutamate gamma-semialdehyde|L-Glutamate5-semialdehyde|L-glutamate-gamma-semialdehyde|L-glutamate 5-semialdehyde|l-glutamate gamma-semialdehyde	C5H9NO3	C01165	glu5sa	iJR904:glu5sa|iAO358:cll_116|iAG612:cbs_404|iAF692:glu5sa|iSB619:glu5sa|iAF1260:glu5sa|iIT341:glu5sa|iAbaylyiv4:L-GLUTAMATE_GAMMA-SEMIALDEHYDE|iND750:glu5sa|iYO844:glu5sa|iNJ661:glu5sa|iJN746:glu5sa	0	-111.43	0.36														
cpd00860	S-Succinyldihydrolipoamide|S-Succinyldihydrolipoamide-E|[Dihydrolipoyllysine-residue succinyltransferase] S-succinyldihydrolipoyllysine	C12H20NO4S2	C01169|C16254	NOT IN MODEL	iND750:sdhlam|iNJ661:sdhlam|iSB619:sdhlam|iJN746:sdhlam	-1	-137.39	1.43														
cpd00861	UDP-N-acetyl-D-mannosamine	C17H25N3O17P2	C01170	uacmam	iJR904:uacmam|iAF692:uacmam|iYO844:uacmam|iSB619:uacmam|iAF1260:uacmam	-2	-756.90	3.24														
cpd00863	beta-D-Glucose 6-phosphate|beta-D-glucose 6-phosphate	C6H12O9P	C01172	g6p-B	iAbaylyiv4:GLC-6-P|iAO358:cll_87|iYO844:g6p-B|iND750:g6p-B|iPS189:g6p-B|iJN746:g6p-B	-1	-430.78	1.51														
cpd00867	Inositol 1-phosphate|myo-Inositol 1-phosphate|1D-myo-Inositol 1-phosphate|D-myo-Inositol 1-phosphate|1D-myo-Inositol 1-monophosphate	C6H12O9P	C01177	mi1p-D	iJR904:mi1p-D|iAF692:mi1p-D|iYO844:mi1p-D|iND750:mi1p-D|iNJ661:mi1p-D|iSB619:mi1p-D|iAF1260:mi1p-D	-1	-432.46	1.45														
cpd00868	3-(4-Hydroxyphenyl)pyruvate|4-Hydroxyphenylpyruvate|p-Hydroxyphenylpyruvic acid|3--4-Hydroxyphenylpyruvate|4-hydroxyphenylpyruvate|p-hydroxyphenylpyruvate	C9H7O4	C01179	34hpp	iJR904:34hpp|iAO358:cll_39|iAG612:cbs_125|iAF692:34hpp|iSB619:34hpp|iAF1260:34hpp|iIT341:34hpp|iAbaylyiv4:P-HYDROXY-PHENYLPYRUVATE|iND750:34hpp|iYO844:34hpp|iNJ661:34hpp|iJN746:34hpp	-1	-115.30	0.90														
cpd00869	4-Methylthio-2-oxobutanoic acid|2-keto-4-methylthiobutyrate|4-Methylthio-2-oxobutanoate|4-methylthio 2-oxobutyrate	C5H7O3S	C01180	2kmb	iIT341:2kmb|iJR904:2kmb|iAO358:cll_47|iAG612:cbs_19|iYO844:2kmb|iSB619:2kmb|iAF1260:2kmb|iJN746:2kmb	-1	-100.68	0.82														
cpd00870	4-Trimethylammoniobutanoate	C7H15NO2	C01181	NOT IN MODEL		0	-27.79	1.98														
cpd00873	Nicotinate D-ribonucleotide|beta-Nicotinate D-ribonucleotide|Nicotinate ribonucleotide|Nicotinic acid ribonucleotide|NicotinateD-ribonucleotide|nicotinate ribonucleotide	C11H13NO9P	C01185	nicrnt	iJR904:nicrnt|iAO358:cll_407|iAF692:nicrnt|iSB619:nicrnt|iAF1260:nicrnt|iIT341:nicrnt|iAbaylyiv4:NICOTINATE_NUCLEOTIDE|iND750:nicrnt|iYO844:nicrnt|iPS189:nicrnt|iNJ661:nicrnt|iJN746:nicrnt	-1	-380.18	1.95														
cpd00876	3-Hydroxy-2-methylpropanoate|3-Hydroxyisobutyrate|3-Hydroxyisobutyric acid|(S)-3-Hydroxyisobutyrate|3-hydroxy-isobutyrate	C4H7O3	C01188|C06001	3hmp	iAbaylyiv4:3-HYDROXY-ISOBUTYRATE|iAG612:cbs_112|iYO844:3hmp|iJN746:3hmp	-1	-121.55	0.27														
cpd00885	"myo-Inositol hexakisphosphate|Phytic acid|Phytate|1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate|D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate|myo-Inositol 1,2,3,4,5,6-hexakisphosphate|Inositol 1,2,3,4,5,6-hexakisphosphate|1D-myo-Inositol hexakisphosphate"	C6H12O24P6	C01204	inoshp	iYO844:inoshp|iAF1260:minohp	-6	-1494.96	1.61														
cpd00890	UDP-N-acetylmuramoyl-L-alanine|udp-n-acetylmuramoyl-l-alanine	C23H33N4O20P2	C01212	uama	iJR904:uama|iAO358:cll_281|iSB619:uama|iAF1260:uama|iIT341:uama|iAbaylyiv4:UDP-ACETYLMURAMOYL-ALA|iYO844:uama|iNJ661:uama|iJN746:uama	-3	-851.04	3.53														
cpd00897	CDP-4-dehydro-6-deoxy-D-glucose	C15H21N3O15P2	C01219	NOT IN MODEL		-2	-667.37	3.00														
cpd00906	all-trans-Hexaprenyl diphosphate	C30H50O7P2	C01230	hexdp	iYO844:hexdp|iSB619:hexdp	-2	-298.73	3.04														
cpd00908	sn-glycero-3-Phosphoethanolamine|Glycerophosphoethanolamine|sn-Glycero-3-phosphoethanolamine	C5H14NO6P	C01233	g3pe	iJR904:g3pe|iYO844:g3pe|iNJ661:g3pe|iSB619:g3pe|iAF1260:g3pe	0	-311.69	0.66														
cpd00911	"D-Glucono-1,5-lactone 6-phosphate|6-Phospho-D-glucono-1,5-lactone|6-phospho-D-glucono-1,5-lactone|D-glucono-1,5-lactone 6-phosphate|6-phospho-D-glucono-1-5-lactone"	C6H10O9P	C01236	6pgl	iJR904:6pgl|iAO358:cll_411|iAG612:cbs_299|iAF692:6pgl|iSB619:6pgl|iAF1260:6pgl|iIT341:6pgl|iND750:6pgl|iYO844:6pgl|iNJ661:6pgl|iJN746:6pgl	-1	-428.52	1.24														
cpd00918	N-Acetyl-L-glutamate 5-semialdehyde|2-Acetamido-5-oxopentanoate|N-acetyl-L-glutamate 5-semialdehyde	C7H10NO4	C01250	acg5sa	iJR904:acg5sa|iAO358:cll_62|iAG612:cbs_478|iAF692:acg5sa|iSB619:acg5sa|iAF1260:acg5sa|iAbaylyiv4:N-ACETYLGLUTAMATE_SEMIALDEHYDE|iND750:acg5sa|iYO844:acg5sa|iNJ661:acg5sa|iJN746:acg5sa	-1	-141.03	0.72														
cpd00922	"1,2-Didehydropiperidine-2-carboxylate|delta1-Piperideine-2-carboxylate"	C6H8NO2	C04092	NOT IN MODEL	iJN746:1pipdn2c	-1	-57.53	1.34														
cpd00930	3-(Imidazol-4-yl)-2-oxopropyl phosphate|Imidazole-acetol phosphate|imidazole-acetol- phosphate|imidazole-acetol-phosphate|3-(imidazol-4-yl)-2-oxopropyl phosphate|imidazole acetol-phosphate	C6H8N2O5P	C01267	imacp	iJR904:imacp|iAO358:cll_224|iAG612:cbs_283:cbs_369|iAF692:imacp|iSB619:imacp|iAF1260:imacp|iAbaylyiv4:IMIDAZOLE-ACETOL-P|iND750:imacp|iYO844:imacp|iNJ661:imacp|iJN746:imacp	-1	-242.14	1.13														
cpd00931	"5-Amino-6-(5'-phosphoribosylamino)uracil|5-Amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphate|5-Amino-6-(5-phosphoribosylamino)uracil|5-Amino-6--5-phosphoribosylaminouracil|5-amino-6-(5-phosphoribosylamino)uracil|5-amino-6-(ribosylamino)-2,4-(1h,3h)-pyrimidinedione 5'-phosphate"	C9H14N4O9P	C01268	5apru	iJR904:5apru|iAO358:cll_354|iSB619:5apru|iAF1260:5apru|iIT341:5apru|iAbaylyiv4:AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE-P|iND750:5apru|iYO844:5apru|iNJ661:5apru|iJN746:5apru	-1	-394.67	2.14														
cpd00932	5-O-(1-Carboxyvinyl)-3-phosphoshikimate|O5-(1-Carboxyvinyl)-3-phosphoshikimate|5-O--1-Carboxyvinyl-3-phosphoshikimate|5-O-(1-carboxyvinyl)-3-phosphoshikimate	C10H10O10P	C01269	3psme	iJR904:3psme|iAO358:cll_69|iAF692:3psme|iSB619:3psme|iAF1260:3psme|iIT341:3psme|iAbaylyiv4:3-ENOLPYRUVYL-SHIKIMATE-5P|iND750:3psme|iYO844:3psme|iNJ661:3psme|iJN746:3psme	-3	-427.57	1.20														
cpd00939	4-Amino-5-hydroxymethyl-2-methylpyrimidine|Toxopyrimidine|4-Amino-2-methyl-5-pyrimidinemethanol	C6H9N3O	C01279	4ahmmp	iJR904:4ahmmp|iAF692:4ahmmp|iYO844:4ahmmp|iND750:4ahmmp|iNJ661:4ahmmp|iAF1260:4ahmmp|iJN746:4ahmmp	0	8.46	1.68														
cpd00946	N-Acetyl-D-glucosaminyldiphosphoundecaprenol|Undecaprenyl diphospho N-acetyl-glucosamine	C63H103NO12P2	C01289	NOT IN MODEL	iJR904:unaga|iNJ661:unaga|iAF1260:unaga	-2	-309.41	5.86														
cpd00947	"beta-D-Galactosyl-1,4-beta-D-glucosylceramide|Lactosylceramide|Gal-beta1->4Glc-beta1->1'Cer|LacCer|Lactosyl-N-acylsphingosine|D-Galactosyl-1,4-beta-D-glucosylceramide"	C31H56NO13R	C01290	NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd00954	"2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine|2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine|2-Amino-4-hydroxy-6-hydroxymethyl-7-8-dihydropteridine|6-hydroxymethyl dihydropterin"	C7H9N5O2	C01300	2ahhmp	iJR904:6hmhpt|iAO358:cll_178|iAF692:6hmhpt|iSB619:6hmhpt|iAF1260:6hmhpt|iIT341:2ahhmp|iAbaylyiv4:AMINO-OH-HYDROXYMETHYL-DIHYDROPTERIDINE|iND750:2ahhmp|iYO844:2ahhmp|iNJ661:2ahhmp:6hmhpt|iJN746:2ahhmp	0	-3.11	2.82														
cpd00956	1-(2-Carboxyphenylamino)-1'-deoxy-D-ribulose 5'-phosphate|1-(2-carboxyphenylamino)-1-deoxyribulose 5-phosphate|1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate|1--2-Carboxyphenylamino-1-deoxy-D-ribulose5-phosphate|1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate	C12H14NO9P	C01302|C10528	2cpr5p	iJR904:2cpr5p|iAO358:cll_373|iAG612:cbs_10|iAF692:2cpr5p|iSB619:2cpr5p|iAF1260:2cpr5p|iIT341:2cpr5p|iAbaylyiv4:CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P|iND750:2cpr5p|iYO844:2cpr5p|iNJ661:2cpr5p|iJN746:2cpr5p	-2	-392.53	1.14														
cpd00957	"2,5-Diamino-6-(5'-phosphoribosylamino)-4-pyrimidineone|2,5-Diamino-6-hydroxy-4-(5'-phosphoribosylamino)-pyrimidine|2-5-Diamino-6-hydroxy-4--5-phosphoribosylamino-pyrimidine|2,5-Diamino-6-(ribosylamino)-4-(3H)-pyrimidinone 5'-phosphate|2,5-diamino-6-(ribosylamino)-4-(3h)-pyrimidinone 5'-phosphate|2,5-diamino-6-hydroxy-4-(5-phosphoribosylamino)pyrimidine"	C9H15N5O8P	C01304	25dhpp	iJR904:25drapp|iAO358:cll_348|iAF692:25dhpp|iSB619:25dhpp|iAF1260:25drapp|iIT341:25dhpp|iAbaylyiv4:DIAMINO-OH-PHOSPHORIBOSYLAMINO-PYR|iND750:25dhpp|iYO844:25dhpp|iNJ661:25dhpp:25drapp|iJN746:25dhpp	-1	-338.54	2.10														
cpd00971	Sodium|Na+|na+	Na	C01330	na1	iJR904:na1|iAO358:cll_290|iAG612:cbs_460|iAF692:na1|iSB619:na1|iAF1260:na1|iIT341:na1|iAbaylyiv4:NA+|iND750:na1|iYO844:na1|iNJ661:na1|iJN746:na1	1	UNKNOWN	UNKNOWN														
cpd00972	XDP	C10H12N4O12P2	C01337	NOT IN MODEL	iAF1260:xdp	-2	-572.43	2.79														
cpd00976	dIDP|2'-Deoxyinosine-5'-diphosphate|2'-Deoxyinosine 5'-diphosphate	C10H12N4O10P2	C01344	NOT IN MODEL	iAF1260:didp	-2	-481.74	2.69														
cpd00977	dITP|2'-Deoxyinosine-5'-triphosphate|2'-Deoxyinosine 5'-triphosphate	C10H12N4O13P3	C01345	NOT IN MODEL	iPS189:ditp|iAF1260:ditp	-3	-689.74	2.70														
cpd00978	dUDP|2'-Deoxyuridine 5'-diphosphate|dudp	C9H12N2O11P2	C01346	dudp	iJR904:dudp|iAO358:cll_297|iAG612:cbs_319|iAF692:dudp|iSB619:dudp|iAF1260:dudp|iIT341:dudp|iAbaylyiv4:DUDP|iND750:dudp|iYO844:dudp|iPS189:dudp|iNJ661:dudp|iJN746:dudp	-2	-565.93	1.80														
cpd00982	FADH2|Flavin adenine dinucleotide reduced|Flavinadeninedinucleotidereduced|fadh2	C27H33N9O15P2	C01352	fadh2	iJR904:fadh2|iAO358:cll_189|iAG612:cbs_102|iSB619:fadh2|iAF1260:fadh2|iIT341:fadh2|iAbaylyiv4:FADH2|iND750:fadh2|iYO844:fadh2|iNJ661:fadh2|iJN746:fadh2	-2	-538.18	5.11														
cpd00988	3'-AMP|3'-Adenylic acid|3'-Adenosine monophosphate|Adenosine-3'-monophosphate|Adenosine 3'-phosphate|AMP 3'-phosphate	C10H13N5O7P	C01367	3amp	iYO844:3amp|iAF1260:3amp	-1	-257.85	3.03														
cpd00989	3'-UMP|Uridine 3'-monophosphate|Uridine 3'-phosphate	C9H12N2O9P	C01368	3ump	iYO844:3ump|iAF1260:3ump	-1	-397.77	1.88														
cpd01011	Butanal|Butyraldehyde	C4H8O	C01412	btal	iYO844:btal|iAF1260:btal	0	-30.81	0.26														
cpd01012	Cadmium|Cd2+	Cd	C01413	cd2	iAF692:cd2|iYO844:cd2|iAF1260:cd2	2	UNKNOWN	UNKNOWN														
cpd01017	Cys-Gly|L-Cysteinylglycine	C5H10N2O3S	C01419	cgly	iIT341:cgly|iYO844:cgly|iND750:cgly|iPS189:cgly|iNJ661:cgly|iAF1260:cgly	0	-113.97	0.96														
cpd01030	Salicin|Salicoside|salicin	C13H18O7	C01451	salcn	iAG612:cbs_504|iYO844:salcn|iPS189:salcn|iSB619:salcn	0	-206.24	1.81														
cpd01048	Arsenic acid|Orthoarsenic acid|Arsenate ion|Arsenate|arsenate	HO4As	C01478|C11215	arsna	iYO844:arsna|iAF1260:aso4	-2	UNKNOWN	UNKNOWN														
cpd01055	D-Allose	C6H12O6	C01487	NOT IN MODEL	iAF1260:all-D	0	-218.28	1.54														
cpd01080	Octadecanoic acid|Stearate|Stearic acid|octadecanoate|stearate	C18H35O2	C01530	ocdca	iJR904:ocdca|iAbaylyiv4:C18:0|iAO358:cll_429:cll_450|iYO844:ocdca|iND750:ocdca|iAF1260:ocdca	-1	-60.83	1.41														
cpd01092	Allantoin|(S)-Allantoin|5-Ureidohydantoin|Glyoxyldiureide|(S)(+)-Allantoin|allantoin	C4H6N4O3	C01551|C02350	alltn	iJR904:alltn|iAG612:cbs_185|iYO844:alltn|iND750:alltn|iAF1260:alltn	0	-116.06	1.97														
cpd01101	Carbamate|Carbamic acid|Aminoformic acid	CH2NO2	C01563	NOT IN MODEL		-1	-95.70	0.50														
cpd01132	Puromycin	C22H30N7O5	C01610	pur	iYO844:pur	1	-13.77	3.44														
cpd01133	Stachyose	C24H42O21	C01613	stchs	iYO844:stchs	0	-694.61	5.75														
cpd01150	Acrylamide|2-Propenamide|acrylamide	C3H5NO	C01659	NOT IN MODEL	iIT341:aa	0	-22.54	0.69														
cpd01155	"Cadaverine|1,5-Pentanediamine|1,5-Diaminopentane|Pentamethylenediamine"	C5H16N2	C01672	15dap	iJR904:15dap|iYO844:15dap|iSB619:15dap|iAF1260:15dap|iJN746:15dap	2	-4.40	0.59														
cpd01157	Chitobiose	C16H28N2O11	C01674	chitob	iYO844:chitob	0	-365.46	3.23														
cpd01171	Galactitol|Dulcitol|Dulcose	C6H14O6	C01697	galt	iJR904:galt|iYO844:galt|iSB619:galt|iAF1260:galt	0	-225.44	0.99														
cpd01187	L-Glucitol|L-Sorbitol|D-Gulitol	C6H14O6	C01722	NOT IN MODEL	iND750:sbt-L	0	-225.44	0.99														
cpd01197	Nebularine|Purine riboside|N-D-Ribosylpurine|Purine nucleoside	C10H12N4O4	C01736|C15586	nebari	iYO844:nebari	0	-50.63	3.07														
cpd01200	Palatinose|6-O-alpha-D-Glucopyranosyl-D-fructofuranose	C12H22O11	C01742	pala	iYO844:pala	0	-377.65	2.77														
cpd01217	Xanthosine|xanthosine	C10H12N4O6	C01762	xtsn	iJR904:xtsn|iAO358:cll_153|iAF1260:xtsn|iIT341:xtsn|iAbaylyiv4:XANTHOSINE|iND750:xtsn|iYO844:xtsn|iPS189:xtsn|iNJ661:xtsn|iJN746:xtsn	0	-151.93	2.79														
cpd01242	Deoxyribose|2-Deoxy-beta-D-erythro-pentose|Thyminose|2-Deoxy-D-ribose|2-Deoxy-D-erythro-pentose	C5H10O4	C01801	drib	iYO844:drib|iND750:drib|iSB619:drib	0	-141.78	1.20														
cpd01260	Lauroyl-CoA|Lauroyl coenzyme A|Dodecanoyl-CoA|ddcoa|Dodecanoyl-CoA (n-C12:0CoA)|dodecanoyl-coa	C33H55N7O17P3S	C01832	ddcoa	iAbaylyiv4:C12:0-COA|iYO844:ddcoa|iND750:ddcacoa|iSB619:ddcacoa|iAF1260:ddcacoa|iJN746:ddcacoa	-3	-769.63	3.77														
cpd01262	Maltotriose|Amylotriose	C18H32O16	C01835	malttr	iJR904:malttr|iYO844:malttr|iAF1260:malttr	0	-535.24	4.53														
cpd01270	flavin mononucleotide reduced|Reduced FMN|FMNH2|ReducedFMN|fmnh2	C17H22N4O9P	C01847	fmnRD	iIT341:fmnh2|iAbaylyiv4:FMNH2|iAG612:cbs_515|iYO844:fmnRD|iSB619:fmnh2|iAF1260:fmnh2|iJN746:fmnh2	-1	-346.33	3.06														
cpd01293	5-Oxoproline|Pyroglutamic acid|5-Pyrrolidone-2-carboxylic acid|Pyroglutamate|5-Oxo-L-proline|L-Pyroglutamic acid|L-5-Pyrrolidone-2-carboxylic acid	C5H6NO3	C01879	NOT IN MODEL	iAF692:5oxpro|iNJ661:5oxpro	-1	-110.12	0.89														
cpd01298	Aminoacetone|1-Amino-2-propanone	C3H8NO	C01888	NOT IN MODEL	iAF1260:aact	1	-36.68	0.30														
cpd01311	Dethiobiotin|Desthiobiotin|dethiobiotin	C10H17N2O3	C01909	dtbt	iJR904:dtbt|iAF692:dtbt|iSB619:dtbt|iAF1260:dtbt|iIT341:dtbt|iAbaylyiv4:DETHIOBIOTIN|iND750:dtbt|iYO844:dtbt|iNJ661:dtbt	-1	-115.31	1.45														
cpd01318	"Glycocholate|Glycocholic acid|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine"	C26H42NO6	C01921	NOT IN MODEL		-1	-196.57	7.14														
cpd01324	L-Histidinal|L-histidinal	C6H10N3O	C01929	NOT IN MODEL	iAbaylyiv4:HISTIDINAL|iAG612:cbs_412	1	7.07	1.14														
cpd01335	Octanoyl-CoA|Octanoyl-CoA (n-C8:0CoA)|octanoyl-coa	C29H47N7O17P3S	C01944	occoa	iAbaylyiv4:C8:0-COA|iYO844:occoa|iND750:occoa|iNJ661:occoa|iSB619:occoa|iAF1260:occoa|iJN746:occoa	-3	-776.11	3.65														
cpd01415	Thioglycolate|Mercaptoacetic acid|Mercaptoethanoic acid|Thioglycolic acid	C2H3O2S	C02086	thiog	iYO844:thiog	-1	-82.22	0.65														
cpd01419	Ureidoglycine|ureidoglycine	C3H7N3O3	C02091	NOT IN MODEL	iAG612:cbs_184	0	-128.73	0.98														
cpd01441	Acetyl-maltose	C14H24O12	C02130	acmalt	iYO844:acmalt|iSB619:acmalt|iAF1260:acmalt	0	-414.21	3.01														
cpd01465	Leukotriene C4	C30H45N3O9S	C02166	NOT IN MODEL		-2	-223.81	2.89														
cpd01476	Protoporphyrin|Protoporphyrin IX|Porphyrinogen IX|protoporphyrin ix	C34H32N4O4	C02191	ppp9	iJR904:ppp9|iAF692:ppp9|iSB619:ppp9|iAF1260:ppp9|iIT341:ppp9|iAbaylyiv4:PROTOPORPHYRIN_IX|iND750:ppp9|iYO844:ppp9|iNJ661:ppp9|iJN746:ppp9	-2	UNKNOWN	UNKNOWN														
cpd01501	"2-Methylcitrate|2-Hydroxybutane-1,2,3-tricarboxylate|(2R,3S)-2-Hydroxybutane-1,2,3-tricarboxylate|2-methyl-citrate|2-methylcitrate"	C7H7O7	C02225	2mcit	iJR904:2mcit|iAbaylyiv4:CPD-622|iAG612:cbs_104|iYO844:2mcit|iND750:2mcit|iAF1260:2mcit|iJN746:2mcit	-3	-280.63	0.51														
cpd01507	3-Oxoadipyl-CoA	C27H38N7O20P3S	C02232	NOT IN MODEL	iAbaylyiv4:3-KETO-ADIPYL-COA|iJN746:oxadpcoa	-4	-888.82	3.61														
cpd01553	Salicyl alcohol|Saligenin|2-Hydroxybenzyl alcohol|2-(Hydroxymethyl)phenol|2-(hydroxymethyl)phenol|salicyl alcohol	C7H8O2	C02323	2hxmp	iAbaylyiv4:CPD-173|iAO358:cll_88|iAG612:cbs_507|iYO844:2hxmp|iSB619:2hymeph	0	-47.76	0.89														
cpd01556	UDP-L-iduronate	C15H19N2O18P2	C02330	NOT IN MODEL		-3	-805.77	3.09														
cpd01567	(R)(-)-Allantoin|(R)-Allantoin	C4H6N4O3	C02348	NOT IN MODEL		0	-116.06	1.97														
cpd01570	"2',3'-Cyclic AMP"	C10H11N5O6P	C02353	23camp	iYO844:23camp|iAF1260:23camp	-1	-193.43	3.79														
cpd01571	"2',3'-Cyclic CMP"	C9H11N3O7P	C02354	23ccmp	iYO844:23ccmp|iAF1260:23ccmp	-1	-280.96	2.97														
cpd01572	"2',3'-Cyclic UMP"	C9H10N2O8P	C02355	23cump	iYO844:23cump|iAF1260:23cump	-1	-333.35	2.95														
cpd01620	Precorrin 2|Dihydrosirohydrochlorin|dihydrosirohydrochlorin	C42H40N4O16	C02463	dscl	iAbaylyiv4:DIHYDROSIROHYDROCHLORIN|iAF692:dscl|iYO844:dscl|iNJ661:dscl:pre2|iSB619:dscl|iAF1260:dscl|iJN746:dscl	-8	UNKNOWN	UNKNOWN														
cpd01622	Trimetaphosphate	O9P3	C02466	tmp	iYO844:tmp	-3	-570.00	2.87														
cpd01646	(2S)-2-Isopropylmalate|2-Isopropylmalate|2-Isopropylmalic acid|3-Carboxy-3-hydroxy-4-methylpentanoate|3-Carboxy-3-hydroxy-isocaproate|3-Carboxy-3-hydroxyisocaproate|2-Hydroxy-2-isopropylbutanedioate|3-Hydroxy-4-methyl-3-carboxypentanoate|2-isopropylmalate|3-carboxy-3-hydroxy-isocaproate	C7H10O5	C02504	3c3hmp	iJR904:3c3hmp|iAO358:cll_254|iAG612:cbs_155|iAF692:3c3hmp|iSB619:3c3hmp|iAF1260:3c3hmp|iAbaylyiv4:3-CARBOXY-3-HYDROXY-ISOCAPROATE|iND750:3c3hmp|iYO844:3c3hmp|iNJ661:3c3hmp|iJN746:3c3hmp	-2	-201.18	0.48														
cpd01647	2-Phenylacetamide	C8H9NO	C02505	NOT IN MODEL	iIT341:pad|iND750:pad	0	-7.44	0.93														
cpd01651	3-Cyano-L-alanine|L-3-Cyanoalanine|L-beta-Cyanoalanine	C4H6N2O2	C02512	NOT IN MODEL		0	-73.15	4.93														
cpd01662	Butanoylphosphate|Butanoyl phosphate	C4H8O5P	C02527	butpi	iYO844:butpi|iPS189:butpi	-1	-298.41	0.32														
cpd01663	"Chenodeoxycholate|Chenodeoxycholic acid|3alpha,7alpha-Dihydroxy-5beta-cholanic acid|Chenodiol"	C24H39O4	C02528	NOT IN MODEL		-1	-126.15	7.14														
cpd01665	D-O-Phosphoserine	C3H7NO6P	C02532	pser-D	iIT341:pser_D|iYO844:pser-D	-1	-336.65	0.33														
cpd01693	Sucrose 6-phosphate|Sucrose 6F-phosphate|sucrose-6-phosphate|sucrose 6-phosphate|Sucrose-6-phosphate|6-Phosphosucrose|6-O-Phosphonosucrose|beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside	C12H22O14P	C02591|C16688	suc6p	iJR904:suc6p|iAO358:cll_409|iAG612:cbs_362|iYO844:suc6p|iPS189:suc6p|iSB619:suc6p|iAF1260:suc6p	-1	-590.15	2.73														
cpd01695	Tetradecanoyl-CoA|Myristoyl-CoA|Tetradecanoyl-CoA (n-C14:0CoA)|tetradecanoyl-coa	C35H59N7O17P3S	C02593	tdcoa	iAbaylyiv4:C14:0-COA|iYO844:tdcoa|iND750:tdcoa|iNJ661:tdcoa|iSB619:tdcoa|iAF1260:tdcoa|iJN746:tdcoa	-3	-766.39	3.84														
cpd01710	2-Isopropylmaleate|beta-Isopropylmaleate|2-isopropylmaleate	C7H8O4	C02631	2ippm	iJR904:2ippm|iAO358:cll_256|iAG612:cbs_79|iAF692:2ippm|iSB619:2ippm|iAF1260:2ippm|iND750:2ippm|iYO844:2ippm|iNJ661:2ippm|iJN746:2ippm	-2	-143.02	0.75														
cpd01716	3-Dehydroshikimate|3-dehydroshikimate|3-dehydro-shikimate	C7H7O5	C02637	3dhsk	iJR904:3dhsk|iAG612:cbs_108|iAF692:3dhsk|iSB619:3dhsk|iAF1260:3dhsk|iIT341:3dhsk|iAbaylyiv4:3-DEHYDRO-SHIKIMATE|iND750:3dhsk|iYO844:3dhsk|iNJ661:3dhsk|iJN746:3dhsk	-1	-166.28	0.93														
cpd01727	6-Carboxyhexanoate|Pimelate|Pimelic acid|Heptanedioic acid|pimelate	C7H10O4	C02656	pime	iIT341:pime|iAbaylyiv4:CPD-205|iYO844:pime|iSB619:pime	-2	-158.10	0.49														
cpd01747	Indole-3-acetamide	C10H10N2O	C02693	NOT IN MODEL	iND750:iad	0	18.61	1.64														
cpd01753	N-Acetoxyarylamine	C8H9NO2	C16684	NOT IN MODEL		0	-36.85	1.03														
cpd01763	N-Hydroxyarylamine|Hydroxylaminobenzene|(Hydroxyamino)benzene	C6H7NO	C02720|C16685	NOT IN MODEL		0	0.60	0.94														
cpd01772	2-Succinylbenzoate|o-Succinylbenzoate|Succinylbenzoate|2-succinylbenzoate	C11H8O5	C02730	sucbz	iIT341:sucbz|iJR904:sucbz|iAO358:cll_266|iYO844:sucbz|iNJ661:sucbz|iSB619:sucbz|iAF1260:sucbz	-2	-160.84	1.03														
cpd01775	Phosphoribosyl-ATP|N1-(5-Phospho-D-ribosyl)-ATP|1-(5-Phosphoribosyl)-ATP|phosphoribosyl-ATP|1-(5-phospho-D-ribosyl)-ATP|1-(5-Phospho-D-ribosyl)-ATP|phosphoribosyl-atp	C15H21N5O20P4	C02739	prbatp	iJR904:prbatp|iAO358:cll_228|iAG612:cbs_215|iAF692:prbatp|iSB619:prbatp|iAF1260:prbatp|iAbaylyiv4:PHOSPHORIBOSYL-ATP|iND750:prbatp|iYO844:prbatp|iNJ661:prbatp|iJN746:prbatp	-4	-1015.22	4.53														
cpd01777	Phosphoribosyl-AMP|N1-(5-Phospho-D-ribosyl)-AMP|1-(5-Phosphoribosyl)-AMP|phosphoribosyl-AMP|phosphoribosyl-amp|1-(5-phospho-D-ribosyl)-AMP	C15H21N5O14P2	C02741	prbamp	iJR904:prbamp|iAO358:cll_230|iAG612:cbs_491|iAF692:prbamp|iSB619:prbamp|iAF1260:prbamp|iAbaylyiv4:PHOSPHORIBOSYL-AMP|iND750:prbamp|iYO844:prbamp|iNJ661:prbamp|iJN746:prbamp	-2	-599.22	4.53														
cpd01831	Imidazole-4-acetate|Imidazoleacetic acid|4-Imidazoleacetate	C5H5N2O2	C02835	imzac	iYO844:imzac	-1	-44.46	1.10														
cpd01844	Propanoyl phosphate|Propionyl phosphate	C3H6O5P	C02876	ppap	iJR904:ppap|iAbaylyiv4:PROPIONYL-P|iAF692:ppap|iYO844:ppap|iPS189:ppap|iAF1260:ppap	-1	-300.03	0.28														
cpd01871	"2,3-Dihydroxytoluene|3-Methylcatechol"	C7H8O2	C02923	NOT IN MODEL	iJN746:3mcat	0	-51.01	1.07														
cpd01882	3-Methylbutanoyl-CoA|Isovaleryl-CoA|isovaleryl-CoA	C26H41N7O17P3S	C02939	ivcoa	iAG612:cbs_377|iYO844:ivcoa|iSB619:ivcoa|iJN746:ivcoa	-3	-782.78	3.57														
cpd01892	4-Hydroxybenzoyl-CoA	C28H37N7O18P3S	C02949	NOT IN MODEL		-3	-791.61	3.64														
cpd01914	L-Methionine S-oxide	C5H11NO3S	C02989	metox	iYO844:metox|iPS189:metox	0	UNKNOWN	UNKNOWN														
cpd01919	Maltose 6'-phosphate|D-maltose-6-phosphate|Maltose 6-phosphate|maltose-6-phosphate|maltose 6-phosphate	C12H22O14P	C02995|C05737	malt6p	iJR904:malt6p|iAO358:cll_492|iAG612:cbs_304:cbs_459|iYO844:malt6p|iPS189:malt6p|iAF1260:malt6p	-1	-589.26	2.99														
cpd01923	N-Acetylmuramoyl-Ala|N-Acetyl-D-muramoyl-L-alanine	C14H23N2O9	C02999	acmama	iIT341:acmama|iYO844:acmama|iSB619:acmama	-1	-306.77	2.05														
cpd01932	"Naphthalene-1,2-diol|1,2-Naphthalenediol|beta-Naphthohydroquinone|1,2-Dihydroxynaphthalene"	C10H8O2	C03012	NOT IN MODEL		0	-39.57	2.15														
cpd01939	Uridine 2'-phosphate	C9H12N2O9P	C03031	NOT IN MODEL		-1	-397.77	1.88														
cpd01947	"(R,R)-Butane-2,3-diol|(R,R)-2,3-Butanediol|(R,R)-2,3-Butylene glycol|(R,R)-butane-2,3-diol|BDOH"	C4H10O2	C03044	btd-RR	iAbaylyiv4:BUTANEDIOL|iAO358:cll_100:cll_445|iAG612:cbs_154|iYO844:btd-RR	0	-80.14	0.45														
cpd01966	3-Methylcrotonyl-CoA|3-Methylbut-2-enoyl-CoA|3-Methylcrotonoyl-CoA|Dimethylacryloyl-CoA|3-methylcrotonyl-CoA	C26H39N7O17P3S	C03069	NOT IN MODEL	iAG612:cbs_115|iJN746:3mb2coa	-3	-762.53	3.58														
cpd01973	4-Guanidinobutanamide	C5H13N4O	C03078	NOT IN MODEL	iND750:4gudbd	1	-30.16	1.69														
cpd01974	4-Hydroxy-L-glutamate|4-Hydroxy-L-glutamic acid|L-erythro-4-Hydroxyglutamate	C5H8NO5	C03079|C05947	4hglu	iIT341:e4hglu|iYO844:4hglu|iND750:e4hglu	-1	-202.17	0.45														
cpd01977	4-Phospho-L-aspartate|L-4-Aspartyl phosphate|4-phospho-L-aspartate	C4H7NO7P	C03082	4pasp	iJR904:4pasp|iAO358:cll_76|iAG612:cbs_129|iAF692:4pasp|iSB619:4pasp|iAF1260:4pasp|iIT341:4pasp|iAbaylyiv4:L-BETA-ASPARTYL-P|iND750:4pasp|iYO844:4pasp|iNJ661:4pasp|iJN746:4pasp	-1	-380.65	0.37														
cpd01981	5-Methylthio-D-ribose|S-Methyl-5-thio-D-ribose|methylthioribose	C6H12O4S	C03089	5mtr	iIT341:5mtr|iJR904:5mtr|iAG612:cbs_475|iYO844:5mtr|iNJ661:5mtr|iSB619:5mtr|iAF1260:5mtr	0	-135.00	1.51														
cpd01982	5-Phosphoribosylamine|5-Phospho-beta-D-ribosylamine|5-Phospho-D-ribosylamine|5-Phosphoribosyl-1-amine|5-phospho-beta-D-ribosylamine|5-phosphoribosylamine	C5H12NO7P	C03090	pram	iJR904:pram|iAO358:cll_333|iAG612:cbs_214|iAF692:pram|iSB619:pram|iAF1260:pram|iIT341:pram|iAbaylyiv4:PRA|iND750:pram|iYO844:pram|iNJ661:pram|iJN746:pram	0	-358.87	1.30														
cpd01991	Cytidine 2'-phosphate|2'-Cytidylic acid|Cytidine 2'-monophosphate	C9H13N3O8P	C03104	NOT IN MODEL		-1	-345.38	1.92														
cpd01995	Deacetylcephalosporin C	C14H18N3O7S	C03112	NOT IN MODEL		-1	-219.10	1.94														
cpd02012	N-Formyl-L-methionine	C6H10NO3S	C03145	fmet	iYO844:fmet	-1	-103.86	1.02														
cpd02016	N-Ribosylnicotinamide|1-(beta-D-Ribofuranosyl)nicotinamide	C11H15N2O5	C03150	rnam	iYO844:rnam	1	-125.24	2.03														
cpd02021	2-Succinylbenzoyl-CoA|o-Succinylbenzoyl-CoA|Succinylbenzoyl-CoA|O-Succinylbenzoyl-CoA|2-succinylbenzoyl-CoA	C32H40N7O20P3S	C03160	sbzcoa	iIT341:sbzcoa|iJR904:sbzcoa|iAO358:cll_264|iYO844:sbzcoa|iNJ661:sbzcoa|iSB619:sbzcoa|iAF1260:sbzcoa	-4	-859.92	3.72														
cpd02030	Shikimate 3-phosphate|Shikimate 5-phosphate|Shikimate5-phosphate|shikimate-3-phosphate|3-phosphoshikimate	C7H9O8P	C03175	skm5p	iJR904:skm5p|iAO358:cll_68|iAG612:cbs_226|iAF692:skm5p|iSB619:skm5p|iAF1260:skm5p|iIT341:skm5p|iAbaylyiv4:SHIKIMATE-5P|iND750:skm5p|iYO844:skm5p|iNJ661:skm5p|iJN746:skm5p	-2	-383.79	0.93														
cpd02045	1-Hydroxy-2-naphthoate|1-Hydroxy-2-naphthoic acid|1-Naphthol-2-carboxylic acid	C11H7O3	C03203	NOT IN MODEL		-1	-82.72	2.15														
cpd02060	2-trans-Dodecenoyl-CoA|trans-Dodec-2-enoyl-CoA|(2E)-Dodec-2-enoyl-CoA|(2E)-Dodecenoyl-CoA|trans-dodec-2-enoyl-coa	C33H53N7O17P3S	C03221	trans-dd2coa	iAbaylyiv4:C12:0-2ENOYLCOA|iYO844:trans-dd2coa|iND750:dd2coa|iSB619:dd2coa|iAF1260:dd2coa|iJN746:dd2coa	-3	-748.82	3.74														
cpd02068	3-Methylglutaconyl-CoA|trans-3-Methylglutaconyl-CoA|3-methylglutaconyl-CoA	C27H38N7O19P3S	C03231	NOT IN MODEL	iAG612:cbs_116|iJN746:3mgcoa	-4	-840.36	3.59														
cpd02069	3-Phosphonooxypyruvate|3-Phosphonooxypyruvic acid|3-Phosphohydroxypyruvate|3-Phosphohydroxypyruvic acid|3-phosphohydroxypyruvate|3-phospho-hydroxypyruvate	C3H3O7P	C03232	3php	iJR904:3php|iAO358:cll_359|iAG612:cbs_123|iAF692:3php|iSB619:3php|iAF1260:3php|iIT341:3php|iAbaylyiv4:3-P-HYDROXYPYRUVATE|iND750:3php|iYO844:3php|iNJ661:3php|iJN746:3php	-2	-361.42	0.33														
cpd02074	6-Amino-2-oxohexanoate|2-Oxo-6-aminocaproate	C6H11NO3	C03239	NOT IN MODEL	iJN746:6a2ohxnt	0	-108.81	0.49														
cpd02083	Coproporphyrinogen III|CoproporphyrinogenIII|coproporphyrinogen iii	C36H40N4O8	C03263	cpppg3	iIT341:cpppg3|iJR904:cpppg3|iAbaylyiv4:COPROPORPHYRINOGEN_III|iYO844:cpppg3|iND750:cpppg3|iNJ661:cpppg3|iSB619:cpppg3|iAF1260:cpppg3|iJN746:cpppg3	-4	UNKNOWN	UNKNOWN														
cpd02090	Glycerophosphoglycerol	C6H14O8P	C03274	g3pg	iJR904:g3pg|iYO844:g3pg|iSB619:g3pg|iAF1260:g3pg	-1	-383.36	0.81														
cpd02097	L-Glutamyl 5-phosphate|L-Glutamate 5-phosphate|L-glutamate-5-phosphate|l-glutamate-5-phosphate|L-gamma-glutamyl 5-phosphate	C5H9NO7P	C03287	glu5p	iJR904:glu5p|iAO358:cll_322|iAG612:cbs_221|iAF692:glu5p|iAF1260:glu5p|iAbaylyiv4:L-GLUTAMATE-5-P|iND750:glu5p|iYO844:glu5p|iNJ661:glu5p|iJN746:glu5p	-1	-379.03	0.40														
cpd02120	"L-2,3-Dihydrodipicolinate|Dihydrodipicolinic acid|Dihydrodipicolinate|2,3-Dihydrodipicolinate|2,3-dihydrodipicolinate|2-3-Dihydrodipicolinate"	C7H5NO4	C03340	23dhdp	"iJR904:23dhdp|iAO358:cll_140|iAG612:cbs_50|iAF692:23dhdp|iSB619:23dhdp|iAF1260:23dhdp|iIT341:23dhdp|iAbaylyiv4:2,3-DIHYDRODIPICOLINATE|iYO844:23dhdp|iNJ661:23dhdp|iJN746:23dhdp"	-2	-133.70	1.35														
cpd02124	2-Methylacetoacetyl-CoA|2-Methyl-3-acetoacetyl-CoA|2-methyl-acetoacetyl-CoA	C26H39N7O18P3S	C03344	2maacoa	iAG612:cbs_94:cbs_95|iYO844:2maacoa|iJN746:2maacoa	-3	-812.80	3.59														
cpd02125	2-Methylbut-2-enoyl-CoA|trans-2-Methylbut-2-enoyl-CoA|Tiglyl-CoA|(E)-2-Methylcrotonoyl-CoA|Methylcrotonoyl-CoA|Methylcrotonyl-CoA|Tigloyl-CoA|2-Methylcrotanoyl-CoA	C26H39N7O17P3S	C03345	2mb2coa	iYO844:2mb2coa|iJN746:2mb2coa	-3	-762.53	3.58														
cpd02135	4-Nitrophenyl phosphate	C6H5NO6P	C03360	NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd02140	Aminoimidazole ribotide|AIR|1-(5'-Phosphoribosyl)-5-aminoimidazole|5'-Phosphoribosyl-5-aminoimidazole|1-(5-Phospho-D-ribosyl)-5-aminoimidazole|5-Amino-1-(5-phospho-D-ribosyl)imidazole|5-amino-1-(5-phospho-D-ribosyl)imidazole|5-amino-1--5-phospho-D-ribosylimidazole|5'-phosphoribosyl-5-aminoimidazole|1-(5-phosphoribosyl)-5-aminoimidazole	C8H14N3O7P	C03373	air	iJR904:air|iAO358:cll_335|iAG612:cbs_13|iAF692:air|iSB619:air|iAF1260:air|iIT341:air|iAbaylyiv4:5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE|iND750:air|iYO844:air|iNJ661:air|iJN746:air	0	-297.44	1.95														
cpd02152	N-(L-Arginino)succinate|N(omega)-(L-Arginino)succinate|L-Argininosuccinate|L-Argininosuccinic acid|L-Arginosuccinic acid|N-omega-(L-Arginino)succinate|L-argininosuccinate|2-(Nomega-L-Arginino)succinate|l-arginino-succinate	C10H17N4O6	C03406	argsuc	iJR904:argsuc|iAO358:cll_65|iAG612:cbs_220|iAF692:argsuc|iSB619:argsuc|iAF1260:argsuc|iIT341:argsuc|iAbaylyiv4:L-ARGININO-SUCCINATE|iND750:argsuc|iYO844:argsuc|iNJ661:argsuc|iJN746:argsuc	-1	-224.81	1.83														
cpd02158	"N1,N12-Diacetylspermine"	C14H32N4O2	C03413	diasprm	iYO844:diasprm	2	-43.60	2.39														
cpd02168	Prephytoene diphosphate	C40H66O7P2	C03427	NOT IN MODEL		-2	-246.69	3.98														
cpd02182	(R)-S-Lactoylglutathione	C13H20N3O8S	C03451	NOT IN MODEL	iJR904:lgt-S|iAbaylyiv4:S-LACTOYL-GLUTATHIONE|iND750:lgt-S|iAF1260:lgt-S	-1	-291.21	1.74														
cpd02186	2-Hydroxy-3-oxosuccinate|Oxaloglycolate	C4H2O6	C03459	oxglyc	iYO844:oxglyc	-2	-228.56	0.39														
cpd02187	2-Methylprop-2-enoyl-CoA|Methacrylyl-CoA|Methylacrylyl-CoA|methylacrylyl-CoA	C25H37N7O17P3S	C03460	2mp2coa	iAG612:cbs_375|iYO844:2mp2coa|iJN746:2mp2coa	-3	-764.81	3.58														
cpd02197	"5-Formyltetrahydrofolate|L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid|Folinic acid"	C20H21N7O7	C03479	NOT IN MODEL	iND750:5fthf|iNJ661:5fthf	-2	-142.75	2.96														
cpd02201	D-4'-Phosphopantothenate|(R)-4'-Phosphopantothenate|D-4-Phosphopantothenate	C9H16NO8P	C03492	4ppan	iJR904:4ppan|iAF692:4ppan|iSB619:4ppan|iAF1260:4ppan|iIT341:4ppan|iAbaylyiv4:4-P-PANTOTHENATE|iND750:4ppan|iYO844:4ppan|iNJ661:4ppan|iJN746:4ppan	-2	-401.04	0.84														
cpd02210	"Indoleglycerol phosphate|1-C-(Indol-3-yl)glycerol 3-phosphate|(3-Indolyl)-glycerol phosphate|C1-(3-Indolyl)-glycerol 3-phosphate|(1S,2R)-1-C-(Indol-3-yl)glycerol 3-phosphate|Indole-3-glycerol phosphate|C'-(3-Indolyl)-glycerol 3-phosphate|indole-3-glycerol-phosphate|C--3-Indolyl-glycerol3-phosphate|1-(indol-3-yl)glycerol 3-phosphate"	C11H13NO6P	C03506	3ig3p	iJR904:3ig3p|iAO358:cll_371|iAG612:cbs_11|iAF692:3ig3p|iSB619:3ig3p|iAF1260:3ig3p|iIT341:3ig3p|iAbaylyiv4:INDOLE-3-GLYCEROL-P|iND750:3ig3p|iYO844:3ig3p|iNJ661:3ig3p|iJN746:3ig3p	-1	-267.57	1.61														
cpd02211	L-2-Amino-3-oxobutanoic acid|L-2-Amino-3-oxobutanoate|L-2-Amino-acetoacetate|(S)-2-Amino-3-oxobutanoic acid	C4H7NO3	C03508	2aobut	iJR904:2aobut|iYO844:2aobut|iSB619:2aobut|iAF1260:2aobut	0	-116.32	0.34														
cpd02227	S-Ribosyl-L-homocysteine|S-D-Ribosyl-L-homocysteine|Ribose-5-S-homocysteine|S-Ribosylhomocysteine|S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine|S-ribosyl-L-homocysteine|s-d-ribosyl-l-homocysteine	C9H17NO6S	C03539	rhcys	iIT341:rhcys|iJR904:rhcys|iAbaylyiv4:CPD-561|iAG612:cbs_503|iYO844:rhcys|iNJ661:rhcys|iSB619:rhcys|iAF1260:rhcys	0	-212.38	1.55														
cpd02229	"Undecaprenyl diphosphate|Undecaprenyldiphosphate|undecaprenyl diphosphate|di-trans,poly-cis-Undecaprenyl diphosphate|Bactoprenyl diphosphate"	C55H90O7P2	C04574	dtpcudcpp	iJR904:udcpdp|iAO358:cll_379|iSB619:udcpdp|iAF1260:udcpdp|iIT341:udcpdp|iAbaylyiv4:UNDECAPRENYL-DIPHOSPHATE|iYO844:dtpcudcpp:udcpdp|iNJ661:udcpdp|iJN746:udcpdp	-2	-158.28	5.57														
cpd02230	myo-Inositol 4-phosphate|D-myo-Inositol 4-phosphate|1D-myo-Inositol 4-phosphate|1D-myo-Inositol 4-monophosphate|Inositol 4-phosphate	C6H12O9P	C03546	NOT IN MODEL	iNJ661:mi4p-D	-1	-432.46	1.45														
cpd02241	D-Mannosamine|2-Amino-2-deoxy-D-mannose	C6H14NO5	C03570	NOT IN MODEL		1	-183.03	1.51														
cpd02274	Methyl beta-D-galactoside|Methyl beta-D-galactopyranoside	C7H14O6	C03619	NOT IN MODEL		0	-203.63	1.56														
cpd02279	"NG,NG-Dimethyl-L-arginine|Nomega,Nomega'-Dimethyl-L-arginine"	C8H19N4O2	C03626	NOT IN MODEL		1	-58.71	1.92														
cpd02295	"1,4-Dihydroxy-2-naphthoate|1,4-dihydroxy-2-naphthoate|1-4-Dihydroxy-2-naphthoate"	C11H7O4	C03657	dhna	iIT341:dhna|iJR904:dhna|iAO358:cll_262|iYO844:dhna|iNJ661:dhna|iSB619:dhna|iAF1260:dhna	-1	-122.20	2.23														
cpd02311	"4-Imidazolone-5-propanoate|4-Imidazolone-5-propionic acid|4,5-Dihydro-4-oxo-5-imidazolepropanoate"	C6H7N2O3	C03680	4izp	iAG612:cbs_127|iYO844:4izp|iSB619:4izp|iJN746:4izp	-1	-86.31	0.93														
cpd02333	"Pyridine-2,3-dicarboxylate|Quinolinic acid|Quinolinate|2,3-Pyridinedicarboxylic acid|quinolinate"	C7H3NO4	C03722	quln	iIT341:quln|iJR904:quln|iAbaylyiv4:QUINOLINATE|iAF692:quln|iYO844:quln|iND750:quln|iNJ661:quln|iAF1260:quln|iJN746:quln	-2	-119.77	1.48														
cpd02345	(S)-4-Amino-5-oxopentanoate|L-Glutamate 1-semialdehyde|L-Glutamate1-semialdehyde	C5H9NO3	C03741	glu1sa	iIT341:glu1sa|iJR904:glu1sa|iAbaylyiv4:GLUTAMATE-1-SEMIALDEHYDE|iAF692:glu1sa|iYO844:glu1sa|iNJ661:glu1sa|iSB619:glu1sa|iAF1260:glu1sa|iJN746:glu1sa	0	-111.43	0.36														
cpd02371	"D-Tagatose 1,6-bisphosphate|D-tagatose 1,6-bisphosphate|D-Tagatose 1,6-biphosphate"	C6H12O12P2	C03785	tagdp-D	iJR904:tagdp-D|iAO358:cll_248|iYO844:tagdp-D|iND750:tagdp-D|iSB619:tagdp-D|iAF1260:tagdp-D	-2	-644.17	1.30														
cpd02375	"N6-(1,2-Dicarboxyethyl)-AMP|Adenylosuccinate|Adenylosuccinic acid|adenylosuccinate|N6--1-2-Dicarboxyethyl-AMP|adenylo-succinate"	C14H15N5O11P	C03794	dcamp	iJR904:dcamp|iAO358:cll_330|iAG612:cbs_176|iAF692:dcamp|iSB619:dcamp|iAF1260:dcamp|iIT341:dcamp|iAbaylyiv4:ADENYLOSUCC|iND750:dcamp|iYO844:dcamp|iNJ661:dcamp|iJN746:dcamp	-3	-408.89	3.07														
cpd02394	5'-Phosphoribosylglycinamide|GAR|N1-(5-Phospho-D-ribosyl)glycinamide|Glycinamide ribonucleotide|N1--5-Phospho-D-ribosylglycinamide|5'-phosphoribosylglycinamide	C7H15N2O8P	C03838	gar	iJR904:gar|iAO358:cll_334|iAG612:cbs_29|iAF692:gar|iSB619:gar|iAF1260:gar|iIT341:gar|iAbaylyiv4:5-PHOSPHO-RIBOSYL-GLYCINEAMIDE|iND750:gar|iYO844:gar|iNJ661:gar|iJN746:gar	0	-389.45	1.46														
cpd02414	L-2-Amino-6-oxoheptanedioate|L-2-Amino-6-oxopimelate	C7H10NO5	C03871	NOT IN MODEL		-1	-188.45	0.50														
cpd02431	(S)-1-Pyrroline-5-carboxylate|L-1-Pyrroline-5-carboxylate|1-Pyrroline-5-carboxylate|1-pyrroline-5-carboxylate	C5H6NO2	C03912	1pyr5c	iJR904:1pyr5c|iAO358:cll_117|iAG612:cbs_34|iAF692:1pyr5c|iSB619:1pyr5c|iAF1260:1pyr5c|iIT341:1pyr5c|iAbaylyiv4:L-DELTA(1)-PYRROLINE_5-CARBOXYLATE|iND750:1pyr5c|iYO844:1pyr5c|iNJ661:1pyr5c|iJN746:1pyr5c	-1	-59.27	0.85														
cpd02439	2-Dehydro-3-deoxy-D-glucarate	C6H6O7	C03921	NOT IN MODEL		-2	-263.36	0.53														
cpd02465	"2,3,4,5-Tetrahydrodipicolinate|delta1-Piperidine-2,6-dicarboxylate|L-2,3,4,5-Tetrahydrodipicolinate|(S)-2,3,4,5-Tetrahydropyridine-2,6-dicarboxylate|2-3-4-5-Tetrahydrodipicolinate|tetrahydrodipicolinate"	C7H7NO4	C03972	thdp	iJR904:thdp|iAG612:cbs_52|iAF692:thdp|iSB619:thdp|iAF1260:thdp|iIT341:thdp|iAbaylyiv4:DELTA{1}-PIPERIDEINE-2-6-DICARBOXYLATE|iYO844:thdp|iNJ661:thdp|iJN746:thdp	-2	-138.97	1.20														
cpd02484	1D-myo-Inositol 3-phosphate|D-myo-Inositol 3-phosphate|myo-Inositol 3-phosphate|Inositol 3-phosphate|1D-myo-Inositol 3-monophosphate|D-myo-Inositol 3-monophosphate|myo-Inositol 3-monophosphate|Inositol 3-monophosphate|1L-myo-Inositol 1-phosphate|L-myo-Inositol 1-phosphate	C6H12O9P	C04006	NOT IN MODEL	iNJ661:mi3p-D	-1	-432.46	1.45														
cpd02494	"(2,3-Dihydroxybenzoyl)adenylate"	C17H17N5O10P	C04030	23dhba	iJR904:23dhba|iYO844:23dhba|iNJ661:23dhba|iAF1260:23dhba	-1	-336.06	3.27														
cpd02498	"2,3-Dihydroxy-3-methylbutanoate|2,3-Dihydroxy-isovalerate|2,3-Dihydroxy-isovaleric acid|2,3-dihydroxy-3-methylbutanoate|(R)-2,3-Dihydroxy-3-methylbutanoate|(R)-2,3-Dihydroxy-isovalerate|(R)-2,3-Dihydroxy-isovaleric acid|(2R)-2,3-Dihydroxy-3-methylbutanoate|R-2-3-Dihydroxy-3-methylbutanoate|2,3-dihydroxy-isovalerate"	C5H9O4	C04039|C04272	23dhmb	iJR904:23dhmb|iAO358:cll_236|iAF692:23dhmb|iSB619:23dhmb|iAF1260:23dhmb|iIT341:23dhmb|iAbaylyiv4:DIOH-ISOVALERATE|iND750:23dhmb|iYO844:23dhmb|iNJ661:23dhmb|iJN746:23dhmb	-1	-161.20	0.49														
cpd02508	5-Dehydro-4-deoxy-D-glucuronate|4-Deoxy-L-threo-5-hexosulose uronate	C6H7O6	C04053	5dh4dglcn	iYO844:5dh4dglcn	-1	-210.66	0.52														
cpd02522	L-2-Aminoadipate 6-semialdehyde|2-Aminoadipate 6-semialdehyde	C6H11NO3	C04076	NOT IN MODEL	iND750:L2aadp6sa|iJN746:L2aadp6sa	0	-109.81	0.41														
cpd02528	UDP-4-dehydro-6-deoxy-D-glucose|UDP-4-keto-6-deoxy-D-glucose|UDP-4-oxo-6-deoxy-D-glucose	C15H20N2O16P2	C04089	NOT IN MODEL		-2	-719.76	3.01														
cpd02535	"2,3-Dihydroxy-3-methylpentanoate|2,3-Dihydroxy-3-methylvalerate|2,3-dihydroxy-3-methylvalerate|2,3-dihydroxy-3-methylpentanoate|(R)-2,3-Dihydroxy-3-methylpentanoate|(R)-2,3-Dihydroxy-3-methylvalerate|(2R,3R)-2,3-Dihydroxy-3-methylpentanoate|R-2-3-Dihydroxy-3-methylpentanoate"	C6H11O4	C04104|C06007	23dhmp	iJR904:23dhmp|iAO358:cll_237|iAG612:cbs_55|iAF692:23dhmp|iSB619:23dhmp|iAF1260:23dhmp|iIT341:23dhmp|iAbaylyiv4:1-KETO-2-METHYLVALERATE|iND750:23dhmp|iYO844:23dhmp|iNJ661:23dhmp|iJN746:23dhmp	-1	-159.58	0.49														
cpd02552	N-Acetyl-L-glutamate 5-phosphate|N-Acetyl-L-glutamyl 5-phosphate|N-acetyl-glutamyl-phosphate|N-acetyl-5-glutamyl phosphate|n-acetylglutamyl-phosphate	C7H10NO8P	C04133	acg5p	iJR904:acg5p|iAO358:cll_60|iAG612:cbs_224|iAF692:acg5p|iSB619:acg5p|iAF1260:acg5p|iAbaylyiv4:N-ACETYL-GLUTAMYL-P|iND750:acg5p|iYO844:acg5p|iNJ661:acg5p|iJN746:acg5p	-2	-408.63	0.74														
cpd02566	"2,3-Dihydro-2,3-dihydroxybenzoate|2,3-Dihydroxy-2,3-dihydrobenzoate|2,3-dihydro-2,3-dihydroxybenzoate"	C7H7O4	C04171	23ddhb	iJR904:23ddhb|iAbaylyiv4:DIHYDRO-DIOH-BENZOATE|iYO844:23ddhb|iSB619:23ddhb|iAF1260:23ddhb	-1	-125.71	1.18														
cpd02569	3-Hydroxy-3-methyl-2-oxobutanoic acid|3-Hydroxy-3-methyl-2-oxobutanoate|2-Oxo-3-hydroxyisovalerate	C5H7O4	C04181	NOT IN MODEL		-1	-150.72	0.48														
cpd02574	S-Methyl-5-thio-D-ribose 1-phosphate|5-Methylthio-5-deoxy-D-ribose 1-phosphate|S-Methyl-5-thio-alpha-D-ribose 1-phosphate|S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate|5-Methylthio-5-deoxy-D-ribose1-phosphate|methylthioribose-1-phosphate	C6H12O7PS	C04188	5mdr1p	iIT341:5mdr1p|iJR904:5mdr1p|iAG612:cbs_476|iAF692:5mdr1p|iYO844:5mdr1p|iSB619:5mdr1p|iAF1260:5mdr1p	-1	-347.50	1.49														
cpd02590	all-trans-Heptaprenyl diphosphate	C35H58O7P2	C04216	hepdp	iYO844:hepdp|iSB619:hepdp	-2	-270.64	3.55														
cpd02591	all-trans-Pentaprenyl diphosphate|pendp	C25H42O7P2	C04217	pendp	iYO844:pendp	-2	-326.82	2.54														
cpd02597	"(Z)-But-2-ene-1,2,3-tricarboxylate|2-methyl-cis-aconitase|cis-2-Methylaconitate"	C7H5O6	C04225	NOT IN MODEL	iJR904:2mcacn|iAbaylyiv4:CPD-1136|iAG612:cbs_103|iAF1260:2mcacn|iJN746:2mcacn	-3	-223.03	0.99														
cpd02605	(2S)-2-Isopropyl-3-oxosuccinate|3-Carboxy-4-methyl-2-oxopentanoate|2-Oxo-4-methyl-3-carboxypentanoate|2-isopropyl-3-oxosuccinate	C7H8O5	C04236	3c4mop	iJR904:3c4mop|iAG612:cbs_77|iAF692:3c4mop|iSB619:3c4mop|iAF1260:3c4mop|iND750:3c4mop|iYO844:3c4mop|iNJ661:3c4mop|iJN746:3c4mop	-2	-189.28	0.51														
cpd02611	N-Acetyl-D-glucosamine 1-phosphate|N-Acetyl-alpha-D-glucosamine 1-phosphate|N-Acetyl-D-glucosamine1-phosphate|N-acetyl-alpha-D-glucosamine 1-phosphate	C8H15NO9P	C04256|C04501	acgam1p	iJR904:acgam1p|iAO358:cll_202|iAF692:acgam1p|iSB619:acgam1p|iAF1260:acgam1p|iIT341:acgam1p|iAbaylyiv4:N-ACETYL-D-GLUCOSAMINE-1-P|iND750:acgam1p|iYO844:acgam1p|iPS189:acgam1p|iNJ661:acgam1p|iJN746:acgam1p	-1	-425.13	1.61														
cpd02625	"L-1-Pyrroline-3-hydroxy-5-carboxylate|3-Hydroxy-L-1-pyrroline-5-carboxylate|(3R,5S)-1-Pyrroline-3-hydroxy-5-carboxylate"	C5H6NO3	C04281	1p3h5c	iIT341:1p3h5c|iYO844:1p3h5c|iND750:1p3h5c	-1	-99.11	0.83														
cpd02631	"3,5/4-Trihydroxycyclohexa-1,2-dione|D-2,3-Diketo 4-deoxy-epi-inositol|DKDI|D-2,3-diketo-4-deoxy-epi-inositol|3D-(3,5/4)-Trihydroxycyclohexa-1,2-dione|D-2,3-Diketo-4-deoxy-epi-inositol|(3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedione"	C6H8O5	C04287|C06891	NOT IN MODEL	iAG612:cbs_76	0	-164.54	1.00														
cpd02636	5-(2-Hydroxyethyl)-4-methylthiazole|4-Methyl-5-(2'-hydroxyethyl)-thiazole|4-Methyl-5-(2-hydroxyethyl)-thiazole|4-Methyl-5--2-hydroxyethyl-thiazole|4-methyl-5-(2-hydroxyethyl)-thiazole	C6H9NOS	C04294	4mhetz	iJR904:4mhetz|iAO358:cll_367|iAF692:4mhetz|iSB619:4mhetz|iAF1260:4mhetz|iIT341:4mhetz|iAbaylyiv4:THZ|iND750:4mhetz|iYO844:4mhetz|iNJ661:4mhetz	0	-7.11	1.27														
cpd02642	N-(5-Phospho-D-ribosyl)anthranilate|N-(5-Phospho-beta-D-ribosyl)anthranilate|N-(5-Phosphoribosyl)anthranilic acid|N--5-Phospho-D-ribosylanthranilate|N-5-phosphoribosyl-anthranilate|N-(5-phospho-beta-D-ribosyl)-anthranilate	C12H14NO9P	C04302	pran	iJR904:pran|iAO358:cll_375|iAG612:cbs_202|iAF692:pran|iSB619:pran|iAF1260:pran|iIT341:pran|iAbaylyiv4:N-(5-PHOSPHORIBOSYL)-ANTHRANILATE|iND750:pran|iYO844:pran|iNJ661:pran|iJN746:pran	-2	-393.15	1.65														
cpd02654	4-Methyl-5-(2-phosphoethyl)-thiazole|4-Methyl-5-(2-phosphono-oxyethyl)-thiazole|4-Methyl-5--2-phosphoethyl-thiazole|4-methyl-5-(2- phosphoethyl)-thiazole	C6H9NO4PS	C04327	4mpetz	iJR904:4mpetz|iAO358:cll_365|iAF692:4mpetz|iSB619:4mpetz|iAF1260:4mpetz|iIT341:4mpetz|iAbaylyiv4:THZ-P|iND750:4mpetz|iYO844:4mpetz|iPS189:4mpetz|iNJ661:4mpetz	-1	-219.61	1.27														
cpd02656	"6,7-Dimethyl-8-(1-D-ribityl)lumazine|6,7-dimethyl-8-(1-D-ribityl)lumazine|6-7-Dimethyl-8--1-D-ribityllumazine|6,7-dimethyl-8-(1-d-ribityl)lumazine"	C13H18N4O6	C04332	dmlz	iJR904:dmlz|iAO358:cll_351|iAF692:dmlz|iSB619:dmlz|iAF1260:dmlz|iIT341:dmlz|iAbaylyiv4:DIMETHYL-D-RIBITYL-LUMAZINE|iND750:dmlz|iYO844:dmlz|iNJ661:dmlz|iJN746:dmlz	0	-124.62	2.63														
cpd02663	"(4S)-4,6-Dihydroxy-2,5-dioxohexanoate|3-Deoxy-D-glycero-2,5-hexodiulosonate|2,5-Diketo-3-deoxy-D-gluconate"	C6H7O6	C04349	46dh25dohxn	iYO844:46dh25dohxn	-1	-212.12	0.54														
cpd02666	(R)-4'-Phosphopantothenoyl-L-cysteine|N-((R)-4-Phosphopantothenoyl)-L-cysteine|N-[(R)-4'-Phosphopantothenoyl]-L-cysteine|N-(-R-4-Phosphopantothenoyl)-L-cysteine	C12H21N2O9PS	C04352	4ppcys	iJR904:4ppcys|iAF692:4ppcys|iSB619:4ppcys|iAF1260:4ppcys|iIT341:4ppcys|iAbaylyiv4:4-PHOSPHOPANTOTHENOYLCYSTEINE|iND750:4ppcys|iYO844:4ppcys|iNJ661:4ppcys|iJN746:4ppcys	-2	-427.28	1.58														
cpd02678	5'-Phosphoribosyl-N-formylglycinamide|N-Formyl-GAR|N-Formylglycinamide ribonucleotide|N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide|N2-Formyl-N1--5-phospho-D-ribosylglycinamide|5'-phosphoribosyl-N-formylglycinamide|5'-phosphoribosylformylglycinamide	C8H14N2O9P	C04376	fgam	iJR904:fgam|iAO358:cll_337|iAG612:cbs_31|iAF692:fgam|iSB619:fgam|iAF1260:fgam|iIT341:fgam|iAbaylyiv4:5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE|iND750:fgam|iYO844:fgam|iNJ661:fgam|iJN746:fgam	-1	-417.40	1.81														
cpd02685	"N6-Acetyl-LL-2,6-diaminoheptanedioate|N2-Acetyl-LL-2,6-diaminoheptanedioate|N6-Acetyl-LL-2,6-diaminopimelate|N2-Acetyl-LL-2,6-diaminopimelate|N6-Acetyl-L-2,6-diaminoheptanedioate|N6-Acetyl-L-2,6-diaminopimelate|N-Acetyl-LL-2,6-diaminoheptanedioate|N-acetyl-LL-2,6-diaminopimelate"	C9H15N2O5	C04390	26dapime	iAG612:cbs_479|iYO844:26dapime|iSB619:n6all26d	-1	-193.28	0.83														
cpd02691	"(2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA|(S)-3-Hydroxy-2-methylbutyryl-CoA"	C26H41N7O18P3S	C04405	3hmbcoa	iYO844:3hmbcoa|iJN746:3hmbcoa	-3	-820.82	3.58														
cpd02693	"(2R,3S)-3-Isopropylmalate|3-Isopropylmalate|3-Carboxy-2-hydroxy-4-methylpentanoate|2-D-threo-Hydroxy-3-carboxy-isocaproate|3-isopropylmalate|2-d-threo-hydroxy-3-carboxy-isocaproate"	C7H10O5	C04411	3c2hmp	iJR904:3c2hmp|iAO358:cll_255|iAG612:cbs_80|iAF692:3c2hmp|iSB619:3c2hmp|iAF1260:3c2hmp|iAbaylyiv4:2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE|iND750:3c2hmp|iYO844:3c2hmp|iNJ661:3c2hmp|iJN746:3c2hmp	-2	-199.76	0.57														
cpd02698	"N-Succinyl-LL-2,6-diaminoheptanedioate|N-Succinyl-LL-2,6-diaminopimelate|N-Succinyl-L-2,6-diaminoheptanedioate|N-Succinyl-L-2,6-diaminopimelate|N-succinyl-LL-2,6-diaminoheptanedioate|N-Succinyl-LL-2-6-diaminoheptanedioate|n-succinyl-ll-2,6-diaminopimelate"	C11H16N2O7	C04421	sl26da	"iJR904:sl26da|iAO358:cll_311|iSB619:sl26da|iAF1260:sl26da|iIT341:sl26da|iAbaylyiv4:N-SUCCINYLLL-2,6-DIAMINOPIMELATE|iYO844:sl26da|iNJ661:sl26da|iJN746:sl26da"	-2	-269.49	0.92														
cpd02700	S-(2-Methylpropanoyl)-dihydrolipoamide|S-(2-Methylpropionyl)-dihydrolipoamide|[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(2-methylpropanoyl)dihydrolipoyllysine|S-(2-Methylpropanoyl)-dihydrolipoamide-E|S-(2-Methylpropionyl)-dihydrolipoamide-E|Enzyme N6-(S-[2-methylpropanoyl]dihydrolipoyl)lysine	C12H23NO2S2	C04424|C15977	NOT IN MODEL	iSB619:2mpdhl	0	-59.75	1.39														
cpd02701	S-Adenosyl-4-methylthio-2-oxobutanoate|s-adenosyl-4-methylthio-2-oxobutanoate	C15H19N5O6S	C04425	amob	iJR904:amob|iAF692:amob|iSB619:amob|iAF1260:amob|iIT341:amob|iAbaylyiv4:S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE|iND750:amob|iYO844:amob|iNJ661:amob	0	-91.40	3.68														
cpd02711	2-Dehydro-3-deoxy-6-phospho-D-gluconate|6-Phospho-2-dehydro-3-deoxy-D-gluconate|2-Keto-3-deoxy-6-phosphogluconate|2-Dehydro-3-deoxy-D-gluconate 6-phosphate|2-Dehydro-3-deoxy-D-gluconate6-phosphate|2-keto-3-deoxy-6-phosphogluconate|2-dehydro-3-deoxy-D-gluconate 6-phosphate|2-keto-3-deoxy-6-phospho-gluconate	C6H9O9P	C04442	2ddg6p	iIT341:2ddg6p|iJR904:2ddg6p|iAbaylyiv4:2-KETO-3-DEOXY-6-P-GLUCONATE|iAO358:cll_244|iAG612:cbs_81|iYO844:2ddg6p|iAF1260:2ddg6p|iJN746:2ddg6p	-2	-432.64	0.54														
cpd02720	"5-Amino-6-(5'-phosphoribitylamino)uracil|5-Amino-2,6-dioxy-4-(5'-phosphoribitylamino)pyrimidine|5-Amino-6-(5-phosphoribitylamino)uracil|5-Amino-6--5-phosphoribitylaminouracil|5-amino-6-(5-phosphoribitylamino)uracil|5-amino-2,6-dioxy-4-(5'-phosphoribitylamino)pyrimidine"	C9H16N4O9P	C04454	5aprbu	iJR904:5aprbu|iAO358:cll_349|iAF692:5aprbu|iSB619:5aprbu|iAF1260:5aprbu|iIT341:5aprbu|iAbaylyiv4:AMINO-DIOXY-PHOSPHORIBITYLAMINO-PYR|iND750:5aprbu|iYO844:5aprbu|iNJ661:5aprbu|iJN746:5aprbu	-1	-402.07	1.82														
cpd02721	6-Phospho-5-dehydro-2-deoxy-D-gluconate|5-Dehydro-2-deoxy-D-gluconate 6-phosphate|2-Deoxy-5-keto-D-gluconic acid 6-phosphate|DKHP|2-deoxy-5-keto-D-gluconic-acid-6-phosphate	C6H9O9P	C04456|C06893	NOT IN MODEL	iAG612:cbs_72	-2	-435.10	0.51														
cpd02733	"3alpha,12alpha-Dihydroxy-5beta-cholanate|Deoxycholic acid|Deoxycholate|3alpha,12alpha-Dihydroxy-5beta-cholanic acid"	C24H39O4	C04483	NOT IN MODEL		-1	-126.15	7.14														
cpd02740	"Guanosine 3'-diphosphate 5'-triphosphate|Guanosine 5'-triphosphate,3'-diphosphate"	C10H13N5O20P5	C04494	gdptp	iAG612:cbs_358|iYO844:gdptp|iNJ661:gdptp|iSB619:gdptp|iAF1260:gdptp|iJN746:gdptp	-5	-1144.80	2.77														
cpd02754	"2-Protocatechoylphloroglucinolcarboxylate|2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate"	C14H9O8	C04524	2pcpgc	iYO844:2pcpgc	-1	-254.20	2.45														
cpd02760	"6-Phospho-beta-D-glucosyl-(1,4)-D-glucose|cellobiose-6-phoshate|6-phospho-beta-D-glucoside-(1,4)-D-glucose|cellobiose 6-phoshate"	C12H22O14P	C04534	6pgg	iAO358:cll_84:cll_111|iAG612:cbs_244|iYO844:6pgg|iPS189:6pgg	-1	-589.26	2.99														
cpd02775	4-Amino-2-methyl-5-phosphomethylpyrimidine|4-Amino-5-phosphomethyl-2-methylpyrimidine|4-amino-2-methyl-5-phosphomethylpyrimidine	C6H9N3O4P	C04556	4ampm	iJR904:4ampm|iAO358:cll_363|iAF692:4ampm|iSB619:4ampm|iAF1260:4ampm|iIT341:4ampm|iAbaylyiv4:AMINO-HYDROXYMETHYL-METHYL-PYR-P|iND750:4ampm|iYO844:4ampm|iNJ661:4ampm|iJN746:4ampm	-1	-204.04	1.69														
cpd02780	"D-myo-Inositol 1,2,4,5,6-pentakisphosphate|1D-myo-Inositol 1,2,4,5,6-pentakisphosphate|myo-Inositol 1,2,4,5,6-pentakisphosphate|Inositol 1,2,4,5,6-pentakisphosphate"	C6H12O21P5	C04563	NOT IN MODEL		-5	-1282.46	1.53														
cpd02791	S-Methyl-5-thio-D-ribulose 1-phosphate|5-Methylthio-5-deoxy-D-ribulose 1-phosphate|5-Methylthio-5-deoxy-D-ribulose1-phosphate|methylthioribulose-1-phosphate	C6H12O7PS	C04582	5mdru1p	iIT341:5mdru1p|iJR904:5mdru1p|iAG612:cbs_477|iYO844:5mdru1p|iSB619:5mdru1p|iAF1260:5mdru1p	-1	-346.88	0.90														
cpd02799	"(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate|Methylisocitrate|Methylisocitric acid|methylisocitrate|(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate"	C7H7O7	C04593	micit	iJR904:micit|iAbaylyiv4:CPD-618|iAG612:cbs_7|iYO844:micit|iAF1260:micit|iJN746:micit	-3	-280.63	0.51														
cpd02820	UDP-N-acetyl-3-(1-carboxyvinyl)-D-glucosamine|UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine|UDP-N-acetylglucosamine-3-O-pyruvateether|UDP-N-acetylglucosamine enolpyruvate|UDP-N-acetyl-3-O--1-carboxyvinyl-D-glucosamine|udp-n-acetyl-3-(1-carboxyvinyl)-d-glucosamine	C20H26N3O19P2	C04631	uaccg	iJR904:uaccg|iAO358:cll_279|iAF692:uaccg|iSB619:uaccg|iAF1260:uaccg|iIT341:uaccg|iAbaylyiv4:UDP-ACETYL-CARBOXYVINYL-GLUCOSAMINE|iYO844:uaccg|iNJ661:uaccg|iJN746:uaccg	-3	-800.68	3.31														
cpd02826	2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine|1-(5'-Phosphoribosyl)-N-formylglycinamidine|5'-Phosphoribosyl-N-formylglycinamidine|5'-Phosphoribosylformylglycinamidine|2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine|2--Formamido-N1-(5-phospho-D-ribosyl)acetamidine|5'-phosphoribosyl-N-formylglycinamidine|5'-phosphoribosylformylglycinamidine	C8H16N3O8P	C04640	fpram	iJR904:fpram|iAO358:cll_338|iAG612:cbs_216|iAF692:fpram|iSB619:fpram|iAF1260:fpram|iIT341:fpram|iAbaylyiv4:5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE|iND750:fpram|iYO844:fpram|iNJ661:fpram|iJN746:fpram	0	-381.60	2.19														
cpd02843	D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate|D-erythro-Imidazole-glycerol 3-phosphate|D-erythro-Imidazole-glycerol phosphate|D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate|D-erythro-imidazol-glycerol-phosphate|d-erythro-imidazole-glycerol-phosphate	C6H10N2O6P	C04666	eig3p	iJR904:eig3p|iAO358:cll_223|iAG612:cbs_282|iAF692:eig3p|iSB619:eig3p|iAF1260:eig3p|iAbaylyiv4:D-ERYTHRO-IMIDAZOLE-GLYCEROL-P|iND750:eig3p|iYO844:eig3p|iNJ661:eig3p|iJN746:eig3p	-1	-288.20	1.18														
cpd02851	1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide|5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide|5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide|AICAR|5-Aminoimidazole-4-carboxamide ribotide|5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole|5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide|5-Amino-1-(5-Phospho-D-ribosyl)imidazole-4-carboxamide|5-Amino-1--5-Phospho-D-ribosylimidazole-4-carboxamide|aicar	C9H14N4O8P	C04677	aicar	iJR904:aicar|iAO358:cll_229|iAG612:cbs_32|iAF692:aicar|iSB619:aicar|iAF1260:aicar|iIT341:aicar|iAbaylyiv4:AICAR|iND750:aicar|iYO844:aicar|iNJ661:aicar|iJN746:aicar	-1	-336.61	1.93														
cpd02857	2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate|3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate|3-Deoxy-arabino-heptulonate 7-phosphate|3-Deoxy-D-arabino-heptulosonic acid 7-phosphate|DAHP|2-Dahp|2-Dehydro-3-deoxy-D-arabino-heptonate7-phosphate|2-dehydro-3-deoxy-D-arabino-heptonate 7-phosphate|3-deoxy-d-arabino-heptulosonate-7-phosphate	C7H11O10P	C04691	2dda7p	iJR904:2dda7p|iAO358:cll_70|iAG612:cbs_69|iSB619:2dda7p|iAF1260:2dda7p|iIT341:2dda7p|iAbaylyiv4:3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P|iND750:2dda7p|iYO844:2dda7p|iNJ661:2dda7p|iJN746:2dda7p	-2	-469.06	0.70														
cpd02882	"4-(1-D-Ribitylamino)-5-amino-2,6-dihydroxypyrimidine|4-(1-D-Ribitylamino)-5-aminouracil|4--1-D-Ribitylamino-5-aminouracil|4-(1-D-ribitylamino)-5-amino-2,6-dihydroxypyrimidine"	C9H16N4O6	C04732	4r5au	iJR904:4r5au|iAO358:cll_350|iAF692:4r5au|iSB619:4r5au|iAF1260:4r5au|iIT341:4r5au|iAbaylyiv4:AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE|iND750:4r5au|iYO844:4r5au|iNJ661:4r5au|iJN746:4r5au	0	-189.57	1.85														
cpd02884	1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide|5'-Phosphoribosyl-5-formamido-4-imidazolecarboxamide|5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide|5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide|5-Formamido-1--5-phospho-D-ribosylimidazole-4-carboxamide|5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide|FAICAR	C10H14N4O9P	C04734	fprica	iJR904:fprica|iAO358:cll_336|iAG612:cbs_33|iAF692:fprica|iSB619:fprica|iAF1260:fprica|iIT341:fprica|iAbaylyiv4:PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE|iND750:fprica|iYO844:fprica|iNJ661:fprica|iJN746:fprica	-1	-372.85	2.02														
cpd02893	1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate|1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate|1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole|5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate|1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole|5'-Phosphoribosyl-4-carboxy-5-aminoimidazole|5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate|5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate|5-amino-1--5-phospho-D-ribosylimidazole-4-carboxylate|1-(5-phosphoribosyl)-5-amino-4-imidazolecarboxylate	C9H13N3O9P	C04751	5aizc	iJR904:5aizc|iAO358:cll_332|iAG612:cbs_14|iAF692:5aizc|iSB619:5aizc|iAF1260:5aizc|iIT341:5aizc|iAbaylyiv4:PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE|iND750:5aizc|iYO844:5aizc|iNJ661:5aizc|iJN746:5aizc	-1	-378.85	2.01														
cpd02894	2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate|4-Amino-2-methyl-5-diphosphomethylpyrimidine|2-Methyl-4-amino-5-hydroxymethylpyrimidinediphosphate|4-amino-2-methyl-5-diphosphomethylpyrimidine	C6H9N3O7P2	C04752	2mahmp	iJR904:2mahmp|iAO358:cll_364|iAF692:2mahmp|iSB619:2mahmp|iAF1260:2mahmp|iIT341:2mahmp|iAbaylyiv4:AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP|iND750:2mahmp|iYO844:2mahmp|iNJ661:2mahmp|iJN746:2mahmp	-2	-412.04	1.69														
cpd02920	"2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine|2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine diphosphate|7,8-Dihydropterin pyrophosphate|2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine diphosphate|2-Amino-4-hydroxy-6-hydroxymethyl-7-8-dihydropteridinediphosphate|6-hydroxymethyl-dihydropterin pyrophosphate"	C7H9N5O8P2	C04807	2ahhmd	iJR904:6hmhptpp|iAO358:cll_185|iAF692:6hmhptpp|iSB619:6hmhptpp|iAF1260:6hmhptpp|iIT341:2ahhmd|iAbaylyiv4:DIHYDROPTERIN-CH2OH-PP|iND750:2ahhmd|iYO844:2ahhmd|iNJ661:2ahhmd:6hmhptpp|iJN746:2ahhmd	-2	-423.61	2.82														
cpd02921	1-(5-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole|1-(5-phosphoribosyl)-4-(N-succino-carboxamide)- 5-aminoimidazole|1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole|1-(5'-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole|5'-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole|(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4- carboxamido]succinate|SAICAR|(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate|S-2-5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido-succinate|5-phosphoribosyl-4-(N-succino-carboxamide)- 5-aminoimidazole|5'-phosphoribosyl-4-(n-succinocarboxamide)-5-aminoimidazole	C13H16N4O12P	C04811|C04823	25aics	iJR904:25aics|iAO358:cll_331|iAG612:cbs_137|iAF692:25aics|iSB619:25aics|iAF1260:25aics|iIT341:25aics|iAbaylyiv4:P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE|iND750:25aics|iYO844:25aics|iNJ661:25aics|iJN746:25aics	-3	-487.65	2.11														
cpd02961	"2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8- dihydropteridine|Dihydroneopterin|2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine|2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine|dihydro-neo-pterin"	C9H13N5O4	C04874	dhnpt	iJR904:dhnpt|iAO358:cll_177|iAF692:dhnpt|iSB619:dhnpt|iAF1260:dhnpt|iIT341:dhnpt|iAbaylyiv4:DIHYDRO-NEO-PTERIN|iND750:dhnpt|iYO844:dhnpt|iNJ661:dhnpt|iJN746:dhnpt	0	-75.95	2.61														
cpd02964	"UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6- diaminopimelate|UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diamino- heptanedioate|UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimelate|UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2-6-diaminopimelate"	C35H51N7O26P2	C04877	ugmd	iIT341:ugmd|iJR904:ugmd|iAbaylyiv4:UDP-AAGM-DIAMINOHEPTANEDIOATE|iYO844:ugmd|iNJ661:ugmd|iSB619:ugmd|iAF1260:ugmd|iJN746:ugmd	-4	-1064.55	4.41														
cpd02967	"N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D- glucosaminyldiphosphoundecaprenol"	C71H116N2O17P2	C04881	NOT IN MODEL		-2	-462.24	6.53														
cpd02968	"UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl- D-alanine|UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D- alanyl-D-alanine|UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine|UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2-6-diaminopimeloyl-D-alanyl-D-alanine"	C41H61N9O28P2	C04882	ugmda	iIT341:ugmda|iJR904:ugmda|iAbaylyiv4:C1|iYO844:ugmda|iNJ661:ugmda|iSB619:ugmda|iAF1260:ugmda|iJN746:ugmda	-4	-1126.09	5.43														
cpd02978	"2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate|6-(L-erythro-1,2-Dihydroxypropyl 3-triphosphate)-7,8-dihydropterin|6-[(1S,2R)-1,2-Dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin|2-amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate|2-Amino-4-hydroxy-6--erythro-1-2-3-trihydroxypropyldihydropteridinetriphosphate|7,8-Dihydroneopterin 3'-triphosphate"	C9H13N5O13P3	C04895	ahdt	iJR904:ahdt|iAO358:cll_184|iAF692:ahdt|iSB619:ahdt|iAF1260:ahdt|iIT341:ahdt|iAbaylyiv4:DIHYDRONEOPTERIN-P3|iND750:ahdt|iYO844:ahdt|iNJ661:ahdt|iJN746:ahdt	-3	-704.45	2.61														
cpd02979	5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)- imidazole-4-carboxamide|N-(5'-Phospho-D-ribosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)- 4-imidazolecarboxamide|N-(5'-Phosphoribosylformimino)-5-amino-1-(5''-phosphoribosyl)-4- imidazolecarboxamide|Phosphoribosyl-formimino-AICAR-phosphate|1-(5-Phosphoribosyl)-5-[(5- phosphoribosylamino)methylideneamino]imidazole-4-carboxamide|1-(5-Phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide|phosphoribosylformimino-AICAR-phosphate|phosphoribosylformiminoaicar-phosphate|N-(5'-phospho-D-ribosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide	C15H23N5O15P2	C04896	prfp	iJR904:prfp|iAO358:cll_221|iAG612:cbs_492|iAF692:prfp|iSB619:prfp|iAF1260:prfp|iAbaylyiv4:PHOSPHORIBOSYL-FORMIMINO-AICAR-P|iND750:prfp|iYO844:prfp|iNJ661:prfp|iJN746:prfp	-2	-651.87	4.32														
cpd02991	N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D- ribosyl)-4-imidazolecarboxamide|5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5- phosphoribosyl)imidazole-4-carboxamide|Phosphoribulosyl-formimino-AICAR-phosphate|5-[(5-phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide|phosphoribulosylformimino-AICAR-phosphate|N-(5'-phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide	C15H23N5O15P2	C04916	prlp	iJR904:prlp|iAO358:cll_222|iAG612:cbs_493|iAF692:prlp|iSB619:prlp|iAF1260:prlp|iAbaylyiv4:PHOSPHORIBULOSYL-FORMIMINO-AICAR-P|iND750:prlp|iYO844:prlp|iNJ661:prlp|iJN746:prlp	-2	-651.25	3.77														
cpd03048	2-Hydroxyethanesulfonate|2-Hydroxyethanesulfonic acid|2-Hydroxyethane-1-sulfonic acid|Isethionic acid|Isethionate	C2H5O4S	C05123	istnt	iYO844:istnt|iAF1260:isetac|iJN746:isetac	-1	-162.01	0.77														
cpd03049	2-(alpha-Hydroxyethyl)thiamine diphosphate|2-Hydroxyethyl-ThPP	C14H21N4O8P2S	C05125	NOT IN MODEL		-1	-405.15	2.81														
cpd03052	Imidazole-4-acetaldehyde|Imidazole acetaldehyde	C5H6N2O	C05130	imzacd	iYO844:imzacd	0	8.24	1.11														
cpd03091	5'-Deoxyadenosine	C10H13N5O3	C05198	NOT IN MODEL	iAbaylyiv4:CH33ADO|iAF1260:dad-5|iJN746:dad-5	0	-9.12	3.03														
cpd03113	(S)-3-Hydroxyhexadecanoyl-CoA	C37H63N7O18P3S	C05258	3hhdcoa	iAbaylyiv4:C16:0-3HYDROXYCOA|iYO844:3hhdcoa|iND750:3hhdcoa|iSB619:3hhdcoa|iAF1260:3hhdcoa|iJN746:3hhdcoa	-3	-801.19	3.89														
cpd03114	3-Oxopalmitoyl-CoA|3-Ketopalmitoyl-CoA|3-Oxohexadecanoyl-CoA|3-oxohexadecanoyl-coa	C37H61N7O18P3S	C05259	3ohdcoa	iAbaylyiv4:C16:0-3OXOCOA|iYO844:3ohdcoa|iND750:3ohdcoa|iSB619:3ohdcoa|iAF1260:3ohdcoa|iJN746:3ohdcoa	-3	-793.17	3.90														
cpd03115	(S)-3-Hydroxytetradecanoyl-CoA	C35H59N7O18P3S	C05260	3htdcoa	iAbaylyiv4:C14:0-3HYDROXYCOA|iYO844:3htdcoa|iND750:3htdcoa|iSB619:3htdcoa|iAF1260:3htdcoa|iJN746:3htdcoa	-3	-804.43	3.82														
cpd03116	(S)-3-Hydroxydodecanoyl-CoA	C33H55N7O18P3S	C05262	3hddcoa	iAbaylyiv4:C12:0-3HYDROXYCOA|iYO844:3hddcoa|iND750:3hddcoa|iSB619:3hddcoa|iAF1260:3hddcoa|iJN746:3hddcoa	-3	-807.67	3.75														
cpd03117	3-Oxododecanoyl-CoA|3-oxododecanoyl-coa	C33H53N7O18P3S	C05263	3oddcoa	iAbaylyiv4:C12:0-3OXOCOA|iYO844:3oddcoa|iND750:3oddcoa|iSB619:3oddcoa|iAF1260:3oddcoa|iJN746:3oddcoa	-3	-799.65	3.77														
cpd03118	(S)-Hydroxydecanoyl-CoA|(S)-3-Hydroxydecanoyl-CoA	C31H51N7O18P3S	C05264	3hdcoa	iAbaylyiv4:C10:0-3HYDROXYCOA|iYO844:3hdcoa|iND750:3hdcoa|iSB619:3hdcoa|iAF1260:3hdcoa|iJN746:3hdcoa	-3	-810.91	3.70														
cpd03119	3-Oxodecanoyl-CoA|3-oxodecanoyl-coa	C31H49N7O18P3S	C05265	3odcoa	iAbaylyiv4:C10:0-3OXOCOA|iYO844:3odcoa|iND750:3odcoa|iSB619:3odcoa|iAF1260:3odcoa|iJN746:3odcoa	-3	-802.89	3.71														
cpd03120	(S)-Hydroxyoctanoyl-CoA|(S)-3-Hydroxyoctanoyl-CoA	C29H47N7O18P3S	C05266	3hocoa	iAbaylyiv4:C8:0-3HYDROXYCOA|iYO844:3hocoa|iSB619:3hocoa|iAF1260:3hocoa|iJN746:3hocoa	-3	-814.15	3.65														
cpd03121	3-Oxooctanoyl-CoA|3-oxooctanoyl-coa	C29H45N7O18P3S	C05267	3oocoa	iAbaylyiv4:C8:0-3OXOCOA|iYO844:3oocoa|iSB619:3oocoa|iAF1260:3oocoa|iJN746:3oocoa	-3	-806.13	3.66														
cpd03122	(S)-Hydroxyhexanoyl-CoA|(S)-3-Hydroxyhexanoyl-CoA	C27H43N7O18P3S	C05268	3hhcoa	iAbaylyiv4:C6:0-3HYDROXYCOA|iYO844:3hhcoa|iSB619:3hhcoa|iAF1260:3hhcoa|iJN746:3hhcoa	-3	-817.39	3.60														
cpd03123	3-Oxohexanoyl-CoA|3-Ketohexanoyl-CoA	C27H41N7O18P3S	C05269	3ohcoa	iAbaylyiv4:C6:0-3OXOCOA|iYO844:3ohcoa|iSB619:3ohcoa|iAF1260:3ohcoa|iJN746:3ohcoa	-3	-809.37	3.61														
cpd03124	Hexanoyl-CoA|hexanoyl-coa	C27H43N7O17P3S	C05270	hxcoa	iAbaylyiv4:C6:0-COA|iYO844:hxcoa|iSB619:hxcoa|iAF1260:hxcoa	-3	-779.35	3.60														
cpd03125	trans-Hex-2-enoyl-CoA|(2E)-Hexenoyl-CoA|trans-hex-2-enoyl-coa	C27H41N7O17P3S	C05271	hx2coa	iAbaylyiv4:C6:0-2ENOYLCOA|iYO844:hx2coa|iSB619:hx2coa|iAF1260:hx2coa|iJN746:hx2coa	-3	-758.54	3.61														
cpd03126	trans-Hexadec-2-enoyl-CoA|trans-2-Hexadecenoyl-CoA|(2E)-Hexadecenoyl-CoA|trans-hexadec-2-enoyl-coa	C37H61N7O17P3S	C05272	hdd2coa	iAbaylyiv4:C16:0-2ENOYLCOA|iYO844:hdd2coa|iND750:hdd2coa|iSB619:hdd2coa|iAF1260:hdd2coa|iJN746:hdd2coa	-3	-742.34	3.87														
cpd03127	"trans-Tetradec-2-enoyl-CoA|(2E)-Tetradecenoyl-CoA|trans-Tetradec-2-enoyl-CoA phosphate, n=30)|trans-tetradec-2-enoyl-coa"	C35H57N7O17P3S	C05273	td2coa	iAbaylyiv4:C14:0-2ENOYLACP|iYO844:td2coa|iND750:td2coa|iSB619:td2coa|iAF1260:td2coa|iJN746:td2coa	-3	-745.58	3.81														
cpd03128	Decanoyl-CoA|Decanoyl-CoA (n-C10:0CoA)|decanoyl-coa	C31H51N7O17P3S	C05274	dccoa	iAbaylyiv4:C10:0-COA|iYO844:dccoa|iND750:dcacoa|iSB619:dcacoa|iAF1260:dcacoa|iJN746:dcacoa	-3	-772.87	3.70														
cpd03129	trans-Dec-2-enoyl-CoA|(2E)-Decenoyl-CoA|trans-dec-2-enoyl-coa	C31H49N7O17P3S	C05275	dc2coa	iAbaylyiv4:C10:0-2ENOYLCOA|iYO844:dc2coa|iND750:dc2coa|iSB619:dc2coa|iAF1260:dc2coa|iJN746:dc2coa	-3	-752.06	3.69														
cpd03130	trans-Oct-2-enoyl-CoA|(2E)-Octenoyl-CoA	C29H45N7O17P3S	C05276	oc2coa	iAbaylyiv4:C8:0-2ENOYLCOA|iYO844:oc2coa|iSB619:oc2coa|iAF1260:oc2coa|iJN746:oc2coa	-3	-755.30	3.64														
cpd03161	Phenethylamine|2-Phenylethylamine|beta-Phenylethylamine|Phenylethylamine	C8H12N	C05332	NOT IN MODEL	iJR904:peamn|iNJ661:peamn|iAF1260:peamn	1	28.59	0.82														
cpd03187	Oxalosuccinate|Oxalosuccinic acid	C6H3O7	C05379	NOT IN MODEL		-3	-268.54	0.46														
cpd03189	3-Carboxy-1-hydroxypropyl-ThPP	C16H22N4O10P2S	C05381	NOT IN MODEL		-2	-481.36	2.82														
cpd03191	D-Glucuronate 1-phosphate	C6H9O10P	C05385	NOT IN MODEL	iAF1260:glcur1p	-2	-474.00	1.47														
cpd03198	Melibiose|6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose|D-Gal-alpha1->6D-Glucose|D-Gal-alpha-1->6D-Glucose	C12H22O11	C05402	melib	iJR904:melib|iYO844:melib|iND750:6dg:melib|iSB619:melib|iAF1260:melib	0	-376.76	3.02														
cpd03200	D-Gal alpha 1->6D-Gal alpha 1->6D-Glucose|D-Gal-alpha1->6D-Gal-alpha1->6D-Glucose|Manninotriose	C18H32O16	C05404	NOT IN MODEL		0	-535.24	4.53														
cpd03205	Phytoene	C40H64	C05413	NOT IN MODEL		0	230.58	4.42														
cpd03211	15-cis-Phytoene	C40H64	C05421	NOT IN MODEL		0	230.58	4.42														
cpd03245	Glycodeoxycholate	C26H42NO5	C05464	NOT IN MODEL		-1	-156.73	7.17														
cpd03247	Glycochenodeoxycholate	C26H42NO5	C05466	NOT IN MODEL		-1	-156.73	7.17														
cpd03279	Deoxyinosine|deoxyinosine	C10H12N4O4	C05512	din	iJR904:din|iAO358:cll_17|iAG612:cbs_279|iAF1260:din|iIT341:din|iAbaylyiv4:DEOXYINOSINE|iND750:din|iYO844:din|iPS189:din|iNJ661:din|iJN746:din	0	-61.24	2.69														
cpd03289	N-Acetyl-L-2-amino-6-oxopimelate|L-2-Acetamido-6-oxoheptanedioate|L-2-Acetamido-6-oxopimelate	C9H11NO6	C05539	acamoxm	iYO844:acamoxm	-2	-218.05	0.84														
cpd03320	3-Hydroxyphenylacetate	C8H7O3	C05593	NOT IN MODEL		-1	-89.36	0.87														
cpd03360	"Dihydropteridine|6,7-Dihydropteridine"	C6H6N4	C05649	NOT IN MODEL		0	73.36	3.00														
cpd03361	"Tetrahydropteridine|5,6,7,8-Tetrahydropteridine"	C6H8N4	C05650|C15600	NOT IN MODEL		0	75.43	2.51														
cpd03407	gamma-Glutamyl-beta-cyanoalanine	C9H12N3O5	C05711	NOT IN MODEL		-1	-180.13	4.99														
cpd03424	Vitamin B12|Cobalamin (III)|Cob(III)alamin	C61H86CoN13O14PR	C05776	NOT IN MODEL		6	UNKNOWN	UNKNOWN														
cpd03426	Sirohydrochlorin|sirohydrochlorin	C42H38N4O16	C05778	shcl	iJR904:shcl|iAbaylyiv4:SIROHYDROCHLORIN|iAF692:scl|iYO844:shcl|iND750:shcl|iNJ661:scl|iSB619:scl|iAF1260:shcl|iJN746:scl	-8	UNKNOWN	UNKNOWN														
cpd03443	3-Octaprenyl-4-hydroxybenzoate|3-octaprenyl-4-hydroxybenzoate	C47H69O3	C05809	NOT IN MODEL	iIT341:3ophb|iJR904:3ophb|iAbaylyiv4:3-OCTAPRENYL-4-HYDROXYBENZOATE|iAF1260:3ophb	-1	128.94	4.19														
cpd03444	2-Octaprenylphenol|2-octaprenylphenol	C46H70O	C05810	NOT IN MODEL	iIT341:2oph|iJR904:2oph|iAbaylyiv4:2-OCTAPRENYLPHENOL|iAF1260:2oph	0	211.57	4.14														
cpd03451	"2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate|(1S,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate|2-succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate|2-Succinyl-6-hydroxy-2-4-cyclohexadiene-1-carboxylate|(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate|(1R,6R)-2-Succinyl-6-hydroxy-2,4-cyclohexadiene-1-carboxylate|SHCHC"	C11H10O6	C05817	2shchc	iIT341:2shchc|iJR904:2shchc|iAO358:cll_265|iYO844:2shchc|iNJ661:2shchc|iSB619:2shchc|iAF1260:2shchc	-2	-192.47	1.20														
cpd03452	(L-Seryl)adenylate	C13H19N6O9P	C05820	NOT IN MODEL		0	-331.00	2.91														
cpd03454	3'-CMP|Cytidine 3'-phosphate|3'-cmp	C9H13N3O8P	C05822	3cmp	iYO844:3cmp|iAF1260:3cmp	-1	-345.38	1.92														
cpd03470	Iminoaspartate|iminoaspartate	C4H3NO4	C05840	iasp	iIT341:iasp|iJR904:iasp|iAbaylyiv4:IMINOASPARTATE|iAF692:iasp|iYO844:iasp|iND750:iasp|iNJ661:iasp|iAF1260:iasp|iJN746:iasp	-2	-173.60	1.69														
cpd03471	Nicotinate D-ribonucleoside	C11H13NO6	C05841	NOT IN MODEL		0	-167.68	1.96														
cpd03485	N-Acetyl-D-muramoate	C11H18NO8	C05887	acmam	iIT341:acmam|iYO844:acmam|iSB619:acmam	-1	-276.00	1.67														
cpd03487	Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine|Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine	C94H153N8O26P2	C05889	NOT IN MODEL	iNJ661:uaaAgla	-3	-751.79	8.17														
cpd03488	Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-glutaminyl-L-lysyl-D-alanyl-D-alanine|Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutaminyl-L-lysyl-D-alanyl-D-alanine	C94H155N9O25P2	C05890	NOT IN MODEL	iNJ661:uaaAgtla	-2	-709.35	8.31														
cpd03491	Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine|Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine	C94H153N8O26P2	C05893	NOT IN MODEL	iNJ661:uaaGgla	-3	-751.79	8.17														
cpd03492	Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine|Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine	C94H155N9O25P2	C05894	NOT IN MODEL	iNJ661:uaaGgtla	-2	-709.35	8.31														
cpd03494	"Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso- 2,6-diaminopimeloyl-D-alanyl-D-alanine|Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine|Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2-6-diaminopimeloyl-D-alanyl-D-alanine"	C87H139N7O23P2	C05897	uagmda	iIT341:uagmda|iJR904:uagmda|iAbaylyiv4:C5|iYO844:uagmda|iNJ661:uagmda|iSB619:uagmda|iAF1260:uagmda|iJN746:uagmda	-4	-678.60	7.33														
cpd03495	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine|Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-ala-D-glu-meso-2,6-diaminopimeloyl-D-ala-D-ala|Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine|Undecaprenyl-diphospho-N-acetylmuramoyl--N-acetylglucosamine-L-ala-D-glu-meso-2-6-diaminopimeloyl-D-ala-D-ala"	C95H152N8O28P2	C05898	uaagmda	iIT341:uaagmda|iJR904:uaagmda|iAbaylyiv4:C6|iYO844:uaagmda|iNJ661:uaagmda|iSB619:uaagmda|iAF1260:uaagmda|iJN746:uaagmda	-4	-831.43	8.16														
cpd03496	"Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L- alanyl-D-glutaminyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine|Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutaminyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine"	C95H154N9O27P2	C05899	NOT IN MODEL	iNJ661:uaagtmda	-3	-788.99	8.31														
cpd03524	10-Formyltetrahydrofolyl L-glutamate|10-Formyl-THF-L-glutamate	C25H27N8O10	C05928	NOT IN MODEL		-3	-251.75	3.50														
cpd03530	L-4-Hydroxyglutamate semialdehyde|L-4-Hydroxyglutamatesemialdehyde	C5H9NO4	C05938	NOT IN MODEL	iIT341:4hglusa|iND750:4hglusa	0	-149.47	0.44														
cpd03535	L-Arginine phosphate|N5-[Imino(phosphonoamino)methyl]L-ornithine|omega-N-Phosphoarginine|Arginine phosphate|L-Arginine-NG-phosphoric acid|Phosphoarginine A|N-Phospho-L-arginine|N(omega)-Phospho-L-arginine|Phosphoarginine	C6H14N4O5P	C05945	argp	iYO844:argp	-1	-270.31	1.82														
cpd03540	Leukotriene D4|LTD4	C25H39N2O6S	C05951	NOT IN MODEL		-1	-116.83	2.55														
cpd03572	(S)-3-Hydroxyisobutyryl-CoA	C25H39N7O18P3S	C06000	hibcoa	iYO844:hibcoa|iJN746:3hibutcoa	-3	-820.63	3.57														
cpd03575	(S)-2-Aceto-2-hydroxybutanoate|(S)-2-Hydroxy-2-ethyl-3-oxobutanoate|S-2-Aceto-2-hydroxybutanoate	C6H9O4	C06006	2ahbut	iJR904:2ahbut|iAF692:2ahbut|iSB619:2ahbut|iAF1260:2ahbut|iIT341:2ahbut|iAbaylyiv4:2-ACETO-2-HYDROXY-BUTYRATE|iND750:2ahbut|iYO844:2ahbut|iNJ661:2ahbut|iJN746:2ahbut	-1	-151.56	0.45														
cpd03577	(3R)-3-Methyl-2-oxopentanoic acid|(R)-2-Oxo-3-methylpentanoic acid|(R)-2-Oxo-3-methylpentanoate	C6H9O3	C06008	2o3mpt	iYO844:2o3mpt	-1	-109.64	0.40														
cpd03583	D-arabino-3-Hexulose 6-phosphate|D-arabino-6-Phospho-hex-3-ulose	C6H12O9P	C06019	NOT IN MODEL		-1	-429.92	0.74														
cpd03606	2-Oxo-3-hydroxy-4-phosphobutanoate|alpha-Keto-3-hydroxy-4-phosphobutyrate|(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate	C4H5O8P	C06054	NOT IN MODEL	iJR904:ohpb|iAbaylyiv4:3OH-4P-OH-ALPHA-KETOBUTYRATE|iND750:ohpb|iNJ661:ohpb|iAF1260:ohpb|iJN746:ohpb	-2	-397.84	0.39														
cpd03607	O-Phospho-4-hydroxy-L-threonine|4-(Phosphonooxy)-threonine|4-(Phosphonooxy)-L-threonine	C4H9NO7P	C06055	NOT IN MODEL	iJR904:phthr|iAbaylyiv4:PHOSPHO-HYDROXY-THREONINE|iND750:phthr|iNJ661:phthr|iAF1260:phthr|iJN746:phthr	-1	-373.07	0.44														
cpd03646	gamma-Glutamyl-beta-aminopropiononitrile|gamma-Glutamyl-3-aminopropiononitrile	C8H13N3O3	C06114	NOT IN MODEL		0	-100.49	4.98														
cpd03656	GA2|GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer|GalNAc-beta1->4LacCer	C39H69N2O18R	C06135	NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd03662	1-Butanol|n-Butanol	C4H10O	C06142	NOT IN MODEL		0	-40.29	0.31														
cpd03671	alpha-D-Glucosamine 1-phosphate|D-Glucosamine 1-phosphate|D-Glucosamine1-phosphate|D-glucosamine 1-phosphate	C6H14NO8P	C06156	gam1p	iJR904:gam1p|iAO358:cll_173|iAF692:gam1p|iSB619:gam1p|iAF1260:gam1p|iIT341:gam1p|iAbaylyiv4:GLUCOSAMINE-1P|iND750:gam1p|iYO844:gam1p|iPS189:gam1p|iNJ661:gam1p|iJN746:gam1p	0	-395.53	1.48														
cpd03696	Arbutin|Ursin|Uvasol|Hydroquinone-O-beta-D-glucopyranoside|arbutin	C12H16O7	C06186	arbt	iAO358:cll_326|iAG612:cbs_209|iYO844:arbt|iPS189:arbt	0	-207.86	1.81														
cpd03697	Arbutin 6-phosphate|Arbutin-6P|arbutin 6-phosphate	C12H16O10P	C06187	arbt6p	iJR904:arbt6p|iAO358:cll_89|iAG612:cbs_211|iYO844:arbt6p|iPS189:arbt6p|iAF1260:arbt6p	-1	-420.36	1.77														
cpd03698	Salicin 6-phosphate|Salicin-6P|salicin 6-phosphate	C13H18O10P	C06188	salc6p	iAO358:cll_86|iAG612:cbs_505:cbs_506|iYO844:salc6p|iPS189:salc6p|iSB619:salc6p	-1	-418.74	1.78														
cpd03701	Guanosine 3'-phosphate|3'-GMP|3'-Guanylic acid|Guo-3'-P|Gp	C10H13N5O8P	C06193	3gmp	iYO844:3gmp|iAF1260:3gmp	-1	-308.30	2.74														
cpd03702	"2',3'-Cyclic GMP"	C10H11N5O7P	C06194	23cgmp	iYO844:23cgmp|iAF1260:23cgmp	-1	-243.88	3.56														
cpd03712	"1,2-Dihydronaphthalene-1,2-diol"	C10H10O2	C06205	NOT IN MODEL		0	-27.96	1.60														
cpd03724	Ferrichrome	C27H45FeN9O12	C06228	ferrich	iYO844:ferrich|iAF1260:fecrm	0	UNKNOWN	UNKNOWN														
cpd03727	Ectoine|L-Ectoine|ectoine	C6H10N2O2	C06231	ectoine	iYO844:ectoine	0	-53.30	1.35														
cpd03734	Acetamide|acetamide	C2H5NO	C06244	NOT IN MODEL	iIT341:ad|iNJ661:ad	0	-44.31	0.52														
cpd03752	Galactitol 1-phosphate|D-Galactitol 1-phosphate|L-Galactitol 6-phosphate	C6H14O9P	C06311	galt1p	iJR904:galt1p|iYO844:galt1p|iSB619:galt1p|iAF1260:galt1p	-1	-437.94	0.91														
cpd03805	2-Deoxy-D-glucose 6-phosphate	C6H12O8P	C06369	NOT IN MODEL		-1	-390.94	1.34														
cpd03847	Tetradecanoic acid|Tetradecanoate|Myristic acid|tetradecanoate (C14:0)|tetradecanoate|tetradecanoate (n-C14:0)	C14H27O2	C06424	ttdca	iJR904:ttdca|iAO358:cll_448|iSB619:ttdca|iAF1260:ttdca|iAbaylyiv4:C14:0|iND750:ttdca|iYO844:ttdca|iNJ661:ttdca|iJN746:ttdca	-1	-67.31	1.07														
cpd03861	L-Xylulose 1-phosphate	C5H10O8P	C06441	NOT IN MODEL		-1	-393.45	1.19														
cpd03884	D-Psicose|D-ribo-2-Hexulose|D-ribo-2-Ketohexulose|D-erythro-Hexulose|D-Pseudofructose|D-Allulose|D-Altrulose	C6H12O6	C06468	NOT IN MODEL		0	-217.61	1.37														
cpd04097	Lead|Pb|Pb2+	Pb	C06696	NOT IN MODEL		2	UNKNOWN	UNKNOWN														
cpd04098	Arsenite|arsenite	H3O3As	C06697	arsni2	iYO844:arsni2|iAF1260:aso3	0	UNKNOWN	UNKNOWN														
cpd04117	"4-Methylcatechol|3,4-Dihydroxytoluene|1,2-Dihydroxy-4-methylbenzene|4-Methyl-1,2-benzenediol"	C7H8O2	C06730	NOT IN MODEL	iJN746:4mcat	0	-51.01	1.07														
cpd04122	Aminoacetaldehyde|aminoacetaldehyde	C2H6NO	C06735	amacald	iJR904:aacald|iAbaylyiv4:CPD-1772|iYO844:amacald|iAF1260:aacald|iJN746:aacald	1	-35.03	0.27														
cpd04135	Chloroacetic acid|Chloroethanoic acid	C2H2O2Cl	C06755	NOT IN MODEL		-1	-93.18	0.50														
cpd04242	2-Deoxy-5-keto-D-gluconic acid|DKH|2-deoxy-5-keto-D-gluconic-acid	C6H9O6	C06892	NOT IN MODEL	iAG612:cbs_71	-1	-222.60	0.56														
cpd04539	2-Amino-3-oxo-4-phosphonooxybutyrate|L-2-Amino-3-oxo-4-phosphonooxybutyrate|(2S)-2-Amino-3-oxo-4-phosphonooxybutanoate	C4H7NO7P	C07335	NOT IN MODEL		-1	-365.05	0.37														
cpd04651	"2-Hydroxy-5-methyl-cis,cis-muconate"	C7H6O5	C07478	NOT IN MODEL	iJN746:hmccm	-2	-162.27	1.16														
cpd04652	2-Oxo-5-methyl-cis-muconate|2-oxo-5-methyl-cis-muconate	C7H6O5	C07479	NOT IN MODEL	iJN746:2omcm	-2	-166.66	0.67														
cpd04761	Ferroxamine|Ferrioxamine|ferroxamine	C25H46FeN6O8	C07597	ferxa	iYO844:ferxa|iAF1260:feoxam	4	UNKNOWN	UNKNOWN														
cpd05158	Gentiobiose	C12H22O11	C08240	NOT IN MODEL		0	-376.76	3.02														
cpd05190	L-Djenkolic acid|Djenkolic acid|Djenkolate	C7H14N2O4S2	C08275	djenk	iYO844:djenk	0	-146.14	1.60														
cpd05191	3-(Methylthio)propionic acid|3-Methylthiopropionate|3-methylthiopropionate	C4H7O2S	C08276	3mtp	iAG612:cbs_21|iYO844:3mtp	-1	-74.74	0.78														
cpd05240	Amygdalin	C20H27NO11	C08325	NOT IN MODEL		0	-312.28	5.85														
cpd06227	Tetrahydrofolyl-[Glu](2)|THF-L-glutamate	C24H27N8O9	C09332	NOT IN MODEL	iND750:thfglu|iNJ661:thfglu|iSB619:thfglu	-3	-220.95	3.38														
cpd06707	Benzamide	C7H7NO	C09815	NOT IN MODEL		0	-10.61	0.96														
cpd07061	Stachydrine|proline betaine	C7H13NO2	C10172	prolb	iYO844:prolb	0	UNKNOWN	UNKNOWN														
cpd08023	Methanesulfonic acid|methanesulfonate|Methanesulfonate	CH3O3S	C11145	mso3	iYO844:mso3|iAF1260:mso3|iJN746:mso3	-1	-127.40	0.75														
cpd08210	4-Amino-4-deoxychorismate|ADC|4-amino-4-deoxychorismate	C10H10NO5	C11355	4adcho	iIT341:4adcho|iJR904:4adcho|iAbaylyiv4:4-AMINO-4-DEOXYCHORISMATE|iYO844:4adcho|iND750:4adcho|iNJ661:4adcho|iSB619:4adcho|iAF1260:4adcho|iJN746:4adcho	-1	-134.24	1.42														
cpd08211	"trans,trans,cis-Geranylgeranyl diphosphate|trans,trans,cis-Geranylgeranyl pyrophosphate"	C20H34O7P2	C11356	tcggrpp	iYO844:tcggrpp	-2	-354.91	2.03														
cpd08286	2-C-Methyl-D-erythritol 4-phosphate|2-C-methyl-D-erythritol 4-phosphate|2-C-methyl-D-erythritol4-phosphate|2-c-methyl-d-erythritol-4-phosphate	C5H12O7P	C11434	2me4p	iIT341:2me4p|iJR904:2me4p|iAbaylyiv4:2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE|iYO844:2me4p|iNJ661:2me4p|iSB619:2me4p|iAF1260:2me4p|iJN746:2me4p	-1	-366.71	0.57														
cpd08287	4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol|4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol|4--cytidine5-diphospho-2-C-methyl-D-erythritol	C14H23N3O14P2	C11435	4c2me	iIT341:4c2me|iJR904:4c2me|iAbaylyiv4:CPD-77|iYO844:4c2me|iNJ661:4c2me|iSB619:4c2me|iAF1260:4c2me|iJN746:4c2me	-2	-646.09	2.09														
cpd08288	2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol|2-phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol|2-phospho-4--cytidine5-diphospho-2-C-methyl-D-erythritol	C14H23N3O17P3	C11436	2p4c2me	iIT341:2p4c2me|iJR904:2p4c2me|iAbaylyiv4:CPD-78|iYO844:2p4c2me|iNJ661:2p4c2me|iSB619:2p4c2me|iAF1260:2p4c2me|iJN746:2p4c2me	-3	-858.59	2.06														
cpd08289	1-Deoxy-D-xylulose 5-phosphate|1-deoxy-D-xylulose 5-phosphate|1-deoxy-D-xylulose5-phosphate|1-deoxy-d-xylulose 5-phosphate	C5H10O7P	C11437	dxyl5p	iJR904:dxyl5p|iAF692:dxyl5p|iAF1260:dxyl5p|iIT341:dxyl5p|iAbaylyiv4:DEOXYXYLULOSE-5P|iYO844:dxyl5p|iNJ661:dxyl5p|iPS189:dxyl5p|iJN746:dxyl5p	-1	-357.27	0.48														
cpd08301	"2-C-Methyl-D-erythritol 2,4-cyclodiphosphate|3-Methyl-1,2,3,4-tetrahydroxybutane-1,3-cyclic bisphosphate|2-C-methyl-D-erythritol 2,4-cyclodiphosphate|2-C-methyl-D-erythritol2-4-cyclodiphosphate|2-c-methyl-d-erythritol-2,4-cyclodiphosphate"	C5H10O9P2	C11453	2mecdp	iIT341:2mecdp|iJR904:2mecdp|iAbaylyiv4:2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE|iYO844:2mecdp|iNJ661:2mecdp|iAF1260:2mecdp|iJN746:2mecdp	-2	-486.44	2.20														
cpd08305	Crotono-betaine|crotonobetaine	C8H16NO	C11458	ctbt	iJR904:ctbt|iYO844:ctbt|iAF1260:ctbt	1	44.07	2.06														
cpd08306	Butyro-betaine	C8H18NO	C11459	NOT IN MODEL		1	23.26	2.00														
cpd08366	(2R)-O-Phospho-3-sulfolactate|(2R)-Phosphosulfolactate	C3H4O9PS	C11536	NOT IN MODEL		-3	-454.15	0.78														
cpd08367	(2R)-3-Sulfolactate	C3H4O6S	C11537	NOT IN MODEL		-2	-241.65	0.78														
cpd08376	2-(beta-D-Glucosyl)-sn-glycerol	C9H18O8	C11546	NOT IN MODEL		0	-274.66	1.68														
cpd08449	3-Amino-2-oxopropyl phosphate|1-Amino-3-(phosphohydroxy)propan-2-one	C3H8NO5P	C11638	NOT IN MODEL	iAbaylyiv4:1-AMINO-PROPAN-2-ONE-3-PHOSPHATE	0	-285.41	0.36														
cpd08615	1-Hydroxy-2-methyl-2-butenyl 4-diphosphate|(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate|1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate|1-hydroxy-2-methyl-2--butenyl 4-diphosphate|1-hydroxy-2-methyl-2--E-butenyl4-diphosphate|1-hydroxy-2-methyl-2-(e)-butenyl 4-diphosphate	C5H10O8P2	C11811	h2mb4p	iIT341:h2mb4p|iJR904:h2mb4p|iAbaylyiv4:HYDROXY-METHYL-BUTENYL-DIP|iYO844:h2mb4p|iNJ661:h2mb4p|iAF1260:h2mb4p|iJN746:h2mb4p	-2	-475.41	0.56														
cpd08625	5-Hydroxyisourate	C5H4N4O4	C11821	NOT IN MODEL		0	-112.29	3.62														
cpd08636	"(S)-4,5-dihydroxypentan-2,3-dione"	C5H8O4	C11838	NOT IN MODEL		0	-134.29	0.52														
cpd08928	L-Threonine O-3-phosphate|L-Threonine phosphate	C4H9NO6P	C12147	NOT IN MODEL	iAF692:thrp|iAF1260:thrp	-1	-336.84	0.43														
cpd09027	"5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate"	C5H5N4O5	C12248	NOT IN MODEL		-1	-184.24	1.59														
cpd09791	3-Methylsalicylate	C8H7O3	C14088	NOT IN MODEL		-1	-94.16	1.08														
cpd09801	2-Methylnaphthalene|beta-Methylnaphthalene	C11H10	C14098	NOT IN MODEL		0	41.44	2.30														
cpd09806	4-Methylsalicylate|m-Cresotic acid|2-Hydroxy-4-methylbenzoic acid	C8H7O3	C14103	NOT IN MODEL		-1	-94.16	1.08														
cpd09812	4-Hydroxymethylsalicylate|2-Hydroxy-4-hydroxymethylbenzoic acid	C8H7O4	C14109	NOT IN MODEL		-1	-130.39	1.10														
cpd09813	4-Hydroxymethylcatechol	C7H8O3	C14110	NOT IN MODEL		0	-87.24	1.10														
cpd09818	Naphthyl-2-methyl-succinic acid	C15H12O4	C14115	NOT IN MODEL		-2	-116.47	2.15														
cpd09844	(3S)-3-Hydroxyadipyl-CoA	C27H40N7O20P3S	C14145	NOT IN MODEL	iAbaylyiv4:3-HYDROXYADIPYL-COA|iJN746:3hadpcoa	-4	-896.84	3.60														
cpd09878	Sulfoacetate|Sulfoacetic acid|sulfoacetate	C2H2O5S	C14179	sula	iYO844:sula|iAF1260:sulfac	-2	-205.23	0.75														
cpd10162	(R)-3-Hydroxy-3-methyl-2-oxopentanoate	C6H9O4	C14463	NOT IN MODEL		-1	-149.10	0.49														
cpd10483	"(1R,2S)-Naphthalene 1,2-oxide|(1R,2S)-Naphthalene epoxide"	C10H8O	C14786	NOT IN MODEL		0	28.36	2.83														
cpd10484	"(1S,2R)-Naphthalene 1,2-oxide|(1S,2R)-Naphthalene epoxide"	C10H8O	C14787	NOT IN MODEL		0	28.36	2.83														
cpd10497	"1-Nitronaphthalene-5,6-oxide"	C10H7NO3	C14800	NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd10498	"1-Nitro-5,6-dihydroxy-dihydronaphthalene|1,2-Dihydro-5-nitro-1,2-naphthalenediol"	C10H9NO4	C14801	NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd10515	Fe2+|Fe(II)|Ferrous ion|Iron(2+)	Fe	C14818	fe2	iJR904:fe2|iAF692:fe2|iSB619:fe2|iAF1260:fe2|iIT341:fe2|iAbaylyiv4:FE+2|iND750:fe2|iYO844:fe2|iPS189:fe2|iNJ661:fe2|iJN746:fe2	2	-18.85	0.50														
cpd10516	Fe3+|Fe(III)|Ferric ion|Iron(3+)|fe3	Fe	C14819	fe3	iIT341:fe3|iAF692:fe3|iYO844:fe3|iPS189:fe3|iNJ661:fe3|iAF1260:fe3	3	-1.10	0.50														
cpd10547	"Benzo[a]pyrene-7,8-oxide|Benzo[a]pyrene-7,8-epoxide"	C20H12O	C14850	NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd10549	"Benzo[a]pyrene-7,8-diol|Benzo[a]pyrene-7,8-dihydrodiol"	C20H14O2	C14852	NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd11217	"1,4-Dihydroxy-2-naphthoyl-CoA"	C32H39N7O19P3S	C15547	NOT IN MODEL		-3	-821.28	4.18														
cpd11225	"3,4-Dihydroxy-2-butanone 4-phosphate|3,4-dihydroxy-2-butanone 4-phosphate|3-4-dihydroxy-2-butanone4-phosphate"	C4H8O6P	C15556	db4p	iJR904:db4p|iAF692:db4p|iSB619:db4p|iAF1260:db4p|iIT341:db4p|iAbaylyiv4:DIHYDROXY-BUTANONE-P|iND750:db4p|iYO844:db4p|iNJ661:db4p|iJN746:db4p	-1	-320.85	0.34														
cpd11255	"1,2-Dihydroxy-5-(methylthio)pent-1-en-3-one|1,2-dihydroxy-3-keto-5-methylthiopentene"	C6H9O3S	C15606	12d3k5m	iAG612:cbs_15|iYO844:12d3k5m	-1	-67.39	1.34														
cpd11295	"2,3-Diketo-5-methylthiopentyl-1-phosphate|5-(Methylthio)-2,3-dioxopentyl phosphate|2,3-diketo-5-methylthio-1-phosphopentane|2,3-diketo5-methylthio-1-phosphopentane|2,3-diketo-5-methylthiopentyl-1-phosphate|2-3-diketo-5-methylthio-1-phosphopentane"	C6H10O6PS	C15650	dkmpp	iIT341:dkmpp|iJR904:dkmpp|iAG612:cbs_57|iYO844:dkmpp|iSB619:dkmpp|iAF1260:dkmpp	-1	-298.36	0.90														
cpd11296	2-Hydroxy-3-keto-5-methylthiopentenyl-1-phosphate|2-Hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate|2-hydroxy-3-keto-5-methylthiopentenyl-1-phosphate	C6H9O6PS	C15651	2h3k5m	iAG612:cbs_58|iYO844:2h3k5m	-2	-279.89	1.34														
cpd11312	Heme A|hemeA	C49H54FeN4O6	C15670	hemeA	iAG612:cbs_364|iYO844:hemeA|iSB619:hemeA_#1	-2	UNKNOWN	UNKNOWN														
cpd11313	Heme O|hemeO|heme o	C49H56FeN4O5	C15672	hemeO	iJR904:hemeO|iAbaylyiv4:HEME_O|iAG612:cbs_363|iYO844:hemeO|iSB619:hemeO|iAF1260:hemeO|iJN746:hemeO	-2	UNKNOWN	UNKNOWN														
cpd11416	Biomass|BIOMASS			NOT IN MODEL	iAO358:cll_422	0	UNKNOWN	UNKNOWN														
cpd11420	trdox|Oxidized thioredoxin|Thioredoxin disulfide|Thioredoxin sulfide|Oxidizedthioredoxin|oxidized thioredoxin	C6H7NO2R2S2	C00343	trdox	iJR904:trdox|iAO358:cll_294|iAG612:cbs_119|iAF692:trdox|iSB619:trdox|iAF1260:trdox|iIT341:trdox|iAbaylyiv4:OX-THIOREDOXIN-MONOMER|iND750:trdox|iYO844:trdox|iPS189:trdox|iNJ661:trdox|iJN746:trdox	0	UNKNOWN	UNKNOWN														
cpd11421	trdrd|Reduced thioredoxin|Thioredoxin|Reducedthioredoxin|reduced thioredoxin	C6H9NO2R2S2	C00342	trdrd	iJR904:trdrd|iAO358:cll_292|iAG612:cbs_118|iAF692:trdrd|iSB619:trdrd|iAF1260:trdrd|iIT341:trdrd|iAbaylyiv4:RED-THIOREDOXIN-MONOMER|iND750:trdrd|iYO844:trdrd|iPS189:trdrd|iNJ661:trdrd|iJN746:trdrd	0	UNKNOWN	UNKNOWN														
cpd11425	2dmmq7|2-Demethylmenaquinone 7|2-demethyl menaquinone|2-Demethylmenaquinone	C45H62O2	C05818	2dmmq7	iAbaylyiv4:DEMETHYLMENAQUINONE|iAO358:cll_263|iYO844:2dmmq7	0	178.38	3.98														
cpd11430	fa1|Fatty acid (Iso-C14:0)	C14H27O2		fa1	iYO844:fa1|iSB619:fa1	-1	-67.31	1.07														
cpd11431	fa11|Fatty acid (Iso-C17:0)	C17H33O2		fa11	iYO844:fa11|iSB619:fa11	-1	-62.45	1.33														
cpd11432	fa11coa|Iso-C17:0 CoA   Isoheptadecanoyl-CoA	C38H65N7O17P3S		NOT IN MODEL		-3	-763.34	3.95														
cpd11433	fa12|Fatty acid (Anteiso-C17:0)	C17H33O2		fa12	iYO844:fa12|iSB619:fa12	-1	-64.26	1.18														
cpd11434	fa12coa|Anteiso-C17:0 CoA   Anteisoheptadecanoyl-CoA	C38H65N7O17P3S		NOT IN MODEL		-3	-763.34	3.89														
cpd11435	fa1coa|Iso-C14:0 CoA   Isotetradecanoyl-CoA	C35H59N7O17P3S		NOT IN MODEL		-3	-768.20	3.84														
cpd11436	fa3|Fatty acid (Iso-C15:0)	C15H29O2		fa3	iYO844:fa3|iSB619:fa3	-1	-65.69	1.15														
cpd11437	fa3coa|Iso-C15:0 CoA   Isopentadecanoyl-CoA	C36H61N7O17P3S		NOT IN MODEL		-3	-766.58	3.87														
cpd11438	fa4|Fatty acid (Anteiso-C15:0)	C15H29O2		fa4	iYO844:fa4|iSB619:fa4	-1	-67.50	1.01														
cpd11439	fa4coa|Anteiso-C15:0 CoA   Anteisopentadecanoyl-CoA	C36H61N7O17P3S		NOT IN MODEL		-3	-766.58	3.82														
cpd11440	fa6|Fatty acid (iso-C16:0)	C16H31O2		fa6	iYO844:fa6|iSB619:fa6	-1	-64.07	1.24														
cpd11441	fa6coa|Iso-C16:0 CoA   Isohexadecanoyl-CoA	C37H63N7O17P3S		NOT IN MODEL		-3	-764.96	3.91														
cpd11451	mql7|Menaquinol 7|Menaquinone|Menatetrenone|menaquinone	C46H66O2	C00828	mql7	iAbaylyiv4:VITAMIN_K_{2}|iAO358:cll_495|iAG612:cbs_325|iYO844:mql7|iPS189:mql7	0	152.18	4.26														
cpd11459	"tcam|minor teichoic acid (acetylgalactosamine glucose phosphate, n=30)"	C420H692N30O391P30		tcam_BS	iYO844:tcam_BS|iPS189:tcam	-30	-15724.80	90.64														
cpd11461	DNA|DNAn|DNAn+1|(Deoxyribonucleotide)n|(Deoxyribonucleotide)m|(Deoxyribonucleotide)n+m|Deoxyribonucleic acid	C15H23O13P2R3	C00039	NOT IN MODEL	iAbaylyiv4:DNA_W|iAO358:cll_413|iJN746:dna	-2	UNKNOWN	UNKNOWN														
cpd11462	mRNA			NOT IN MODEL	iAbaylyiv4:RNA_W	0	UNKNOWN	UNKNOWN														
cpd11463	Protein	C4H5N2O3R2	C00017	NOT IN MODEL	iAbaylyiv4:PROTEIN_W	-1	UNKNOWN	UNKNOWN														
cpd11464	Butyryl-[acp]|Butyryl-[acyl-carrier protein]|Butyryl-ACP	C15H27N2O8PRS	C05745	NOT IN MODEL	iAbaylyiv4:C4:0-ACP|iAF1260:butACP	-1	UNKNOWN	UNKNOWN														
cpd11465	But-2-enoyl-[acyl-carrier protein]	C15H25N2O8PRS	C04246	NOT IN MODEL	iAbaylyiv4:C4:0-2ENOYLACP|iAF1260:but2eACP|iJN746:but2eACP	-1	UNKNOWN	UNKNOWN														
cpd11466	Tetradecanoyl-[acp]|Tetradecanoyl-[acyl-carrier protein]|Myristoyl-[acyl-carrier protein]|myristoyl-[acyl-carrier protein]|Myristoyl-ACP|Myristoyl-ACP (n-C14:0ACP)|Myristoyl-ACP-n-C14-0ACP|tetradecanoyl-acp	C25H47N2O8PRS	C05761	NOT IN MODEL	iIT341:myrsACP|iJR904:myrsACP|iAbaylyiv4:C14:0-ACP|iAO358:cll_424|iND750:myrsACP|iSB619:myrsACP|iAF1260:myrsACP|iJN746:myrsACP	-1	UNKNOWN	UNKNOWN														
cpd11467	trans-Tetradec-2-enoyl-[acp]|trans-Tetradec-2-enoyl-[acyl-carrier protein]|(2E)-Tetradecenoyl-[acp]|trans-tetradec-2-enoyl-acp	C25H45N2O8PRS	C05760	NOT IN MODEL	iAbaylyiv4:C14:0-2ENOYLCOA|iAF1260:tmrs2eACP|iJN746:tmrs2eACP	-1	UNKNOWN	UNKNOWN														
cpd11468	Dodecanoyl-[acyl-carrier protein]|Dodecanoyl-[acp]|Lauroyl-[acyl-carrier protein]|Dodecanoyl-ACP|Dodecanoyl-ACP (n-C12:0ACP)|dodecanoyl-acp	C23H43N2O8PRS	C05223	NOT IN MODEL	iJR904:ddcaACP|iAbaylyiv4:C12:0-ACP|iND750:ddcaACP|iSB619:ddcaACP|iAF1260:ddcaACP|iJN746:ddcaACP	-1	UNKNOWN	UNKNOWN														
cpd11469	trans-Dodec-2-enoyl-[acp]|trans-Dodec-2-enoyl-[acyl-carrier protein]|(2E)-Dodecenoyl-[acp]|trans-dodec-2-enoyl-acp	C23H41N2O8PRS	C05758	NOT IN MODEL	iAbaylyiv4:C12:0-2ENOYLACP|iAF1260:tddec2eACP|iJN746:tddec2eACP	-1	UNKNOWN	UNKNOWN														
cpd11470	Octanoyl-[acp]|Octanoyl-[acyl-carrier protein]|Octanoyl-ACP|octanoyl-acp	C19H35N2O8PRS	C05752	NOT IN MODEL	iAbaylyiv4:C8:0-ACP|iND750:ocACP|iAF1260:ocACP	-1	UNKNOWN	UNKNOWN														
cpd11471	trans-Oct-2-enoyl-[acp]|trans-Oct-2-enoyl-[acyl-carrier protein]|2-Octenoyl-[acyl-carrier protein]|(2E)-Octenoyl-[acp]	C19H33N2O8PRS	C05751	NOT IN MODEL	iAbaylyiv4:C8:0-2ENOYLACP|iAF1260:toct2eACP|iJN746:toct2eACP	-1	UNKNOWN	UNKNOWN														
cpd11472	Hexanoyl-[acp]|Hexanoyl-[acyl-carrier protein]|Hexanoyl-ACP|hexanoyl-acp	C17H31N2O8PRS	C05749	NOT IN MODEL	iAbaylyiv4:C6:0-ACP|iAF1260:hexACP	-1	UNKNOWN	UNKNOWN														
cpd11473	trans-Hex-2-enoyl-[acp]|trans-Hex-2-enoyl-[acyl-carrier protein]|(2E)-Hexenoyl-[acp]|trans-hex-2-enoyl-acp	C17H29N2O8PRS	C05748	NOT IN MODEL	iAbaylyiv4:C6:0-2ENOYLACP|iAF1260:thex2eACP|iJN746:thex2eACP	-1	UNKNOWN	UNKNOWN														
cpd11474	Decanoyl-[acp]|Decanoyl-[acyl-carrier protein]|Decanoyl-ACP|decanoyl-acp	C21H39N2O8PRS	C05755	NOT IN MODEL	iAbaylyiv4:C10:0-ACP|iND750:dcaACP|iAF1260:dcaACP	-1	UNKNOWN	UNKNOWN														
cpd11475	trans-Dec-2-enoyl-[acp]|trans-Dec-2-enoyl-[acyl-carrier protein]|(2E)-Decenoyl-[acp]|trans-2-Decenoyl-[acyl-carrier protein]|trans-dec-2-enoyl-acp	C21H37N2O8PRS	C05754	NOT IN MODEL	iAbaylyiv4:C10:0-2ENOYLACP|iAF1260:tdec2eACP|iJN746:tdec2eACP	-1	UNKNOWN	UNKNOWN														
cpd11476	Hexadecanoyl-[acp]|Hexadecanoyl-[acyl-carrier protein]|hexadecanoyl-[acyl-carrier protein]|hexadecanoyl-acp	C27H51N2O8PRS	C05764	NOT IN MODEL	iAbaylyiv4:C16:0-ACP|iAO358:cll_427	-1	UNKNOWN	UNKNOWN														
cpd11477	trans-Hexadec-2-enoyl-[acp]|trans-Hexadec-2-enoyl-[acyl-carrier protein]|(2E)-Hexadecenoyl-[acp]|trans-hexadec-2-enoyl-acp	C27H49N2O8PRS	C05763	NOT IN MODEL	iAbaylyiv4:C16:0-2ENOYLACP|iAF1260:tpalm2eACP|iJN746:tpalm2eACP	-1	UNKNOWN	UNKNOWN														
cpd11478	(3R)-3-Hydroxybutanoyl-[acyl-carrier protein]|(R)-3-Hydroxybutanoyl-[acyl-carrier protein]	C15H27N2O9PRS	C04618	NOT IN MODEL	iAbaylyiv4:C4:0-3HYDROXYACP	-1	UNKNOWN	UNKNOWN														
cpd11479	(R)-3-Hydroxyhexanoyl-[acp]|(R)-3-Hydroxyhexanoyl-[acyl-carrier protein]|D-3-Hydroxyhexanoyl-[acp]|D-3-Hydroxyhexanoyl-[acyl-carrier protein]	C17H31N2O9PRS	C05747	NOT IN MODEL	iAbaylyiv4:C6:0-3HYDROXYACP|iAF1260:3hhexACP|iJN746:3hhexACP	-1	UNKNOWN	UNKNOWN														
cpd11480	(R)-3-Hydroxydodecanoyl-[acp]|(R)-3-Hydroxydodecanoyl-[acyl-carrier protein]|D-3-Hydroxydodecanoyl-[acp]|D-3-Hydroxydodecanoyl-[acyl-carrier protein]	C23H43N2O9PRS	C05757	NOT IN MODEL	iAbaylyiv4:3-OHLAUROYL-ACP|iAF1260:3hddecACP|iJN746:3hddecACP	-1	UNKNOWN	UNKNOWN														
cpd11481	(3R)-3-Hydroxypalmitoyl-[acyl-carrier protein]|(R)-3-Hydroxypalmitoyl-[acyl-carrier protein]|(3R)-3-Hydroxyhexadecanoyl-[acyl-carrier protein]|(R)-3-Hydroxyhexadecanoyl-[acyl-carrier protein]|R-3-hydroxypalmitoyl-[acyl-carrier protein]|R-3-hydroxypalmitoyl-acyl-carrierprotein-	C27H51N2O9PRS	C04633	NOT IN MODEL	iIT341:3hpalmACP|iAbaylyiv4:C16:0-3HYDROXYACP|iAF1260:3hpalmACP|iJN746:3hpalmACP	-1	UNKNOWN	UNKNOWN														
cpd11482	(3R)-3-Hydroxydecanoyl-[acyl-carrier protein]|(R)-3-Hydroxydecanoyl-[acyl-carrier protein]	C21H39N2O9PRS	C04619	NOT IN MODEL	iAbaylyiv4:C10:0-3HYDROXYACP|iAF1260:3hdecACP|iJN746:3hdecACP	-1	UNKNOWN	UNKNOWN														
cpd11483	(3R)-3-Hydroxyoctanoyl-[acyl-carrier protein]|(R)-3-Hydroxyoctanoyl-[acyl-carrier protein]	C19H35N2O9PRS	C04620	NOT IN MODEL	iAbaylyiv4:C8:0-3HYDROXYACP|iAF1260:3hoctACP|iJN746:3hoctACP	-1	UNKNOWN	UNKNOWN														
cpd11484	(3R)-3-Hydroxytetradecanoyl-[acyl-carrier protein]|(R)-3-Hydroxytetradecanoyl-[acyl-carrier protein]|beta-Hydroxymyristyl-[acyl-carrier protein]|HMA|R-3-hydroxy-myristoyl-ACP	C25H47N2O9PRS	C04688	NOT IN MODEL	iJR904:3hmrsACP|iAbaylyiv4:3-OHMYRISTOYL-ACP|iSB619:3hmrsACP|iAF1260:3hmrsACP|iJN746:3hmrsACP	-1	UNKNOWN	UNKNOWN														
cpd11485	3-Oxohexadecanoyl-[acp]|3-Oxohexadecanoyl-[acyl-carrier protein]|3-oxohexadecanoyl-acp	C27H49N2O9PRS	C05762	NOT IN MODEL	iAbaylyiv4:C16:0-3OXOACP|iAF1260:3opalmACP|iJN746:3opalmACP	-1	UNKNOWN	UNKNOWN														
cpd11486	3-Oxohexanoyl-[acp]|3-Oxohexanoyl-[acyl-carrier protein]	C17H29N2O9PRS	C05746	NOT IN MODEL	iAbaylyiv4:C6:0-3OXOACP|iAF1260:3ohexACP|iJN746:3ohexACP	-1	UNKNOWN	UNKNOWN														
cpd11487	3-Oxodecanoyl-[acp]|3-Oxodecanoyl-[acyl-carrier protein]|3-oxodecanoyl-acp	C21H37N2O9PRS	C05753	NOT IN MODEL	iAbaylyiv4:C10:0-3OXOACP|iAF1260:3odecACP|iJN746:3odecACP	-1	UNKNOWN	UNKNOWN														
cpd11488	Acetoacetyl-[acp]|Acetoacetyl-[acyl-carrier protein]|Acetoacetyl-ACP|acetoacetyl-acp	C15H25N2O9PRS	C05744	NOT IN MODEL	iIT341:actACP|iJR904:actACP|iAbaylyiv4:ACETOACETYL-S-ACP|iSB619:actACP|iAF1260:actACP|iJN746:actACP	-1	UNKNOWN	UNKNOWN														
cpd11489	3-Oxododecanoyl-[acp]|3-Oxododecanoyl-[acyl-carrier protein]|3-oxododecanoyl-acp	C23H41N2O9PRS	C05756	NOT IN MODEL	iAbaylyiv4:C12:0-3OXOACP|iAF1260:3oddecACP|iJN746:3oddecACP	-1	UNKNOWN	UNKNOWN														
cpd11490	3-Oxooctanoyl-[acp]|3-Oxooctanoyl-[acyl-carrier protein]|3-oxooctanoyl-acp	C19H33N2O9PRS	C05750	NOT IN MODEL	iAbaylyiv4:C8:0-3OXOACP|iAF1260:3ooctACP|iJN746:3ooctACP	-1	UNKNOWN	UNKNOWN														
cpd11491	3-Oxotetradecanoyl-[acp]|3-Oxotetradecanoyl-[acyl-carrier protein]|3-oxotetradecanoyl-acp	C25H45N2O9PRS	C05759	NOT IN MODEL	iAbaylyiv4:C14:0-3OXOACP|iAF1260:3omrsACP|iJN746:3omrsACP	-1	UNKNOWN	UNKNOWN														
cpd11492	Malonyl-[acyl-carrier protein]|malonyl-[acyl-carrier protein]|Malonyl-acyl-carrierprotein-	C14H22N2O10PRS	C01209	NOT IN MODEL	iJR904:malACP|iAO358:cll_166|iAG612:cbs_169|iSB619:malACP|iAF1260:malACP|iIT341:malACP|iAbaylyiv4:MALONYL-ACP|iND750:malACP|iNJ661:malACP|iJN746:malACP	-2	UNKNOWN	UNKNOWN														
cpd11493	Acyl-carrier protein|ACP|[Acyl-carrier protein]|Holo-[acyl-carrie-protein]|acyl carrier protein|acylcarrierprotein	C11H21N2O7PRS	C00229	ACP	iJR904:ACP|iAO358:cll_8|iAG612:cbs_98|iSB619:ACP|iAF1260:ACP|iIT341:ACP|iAbaylyiv4:ACP|iND750:ACP|iYO844:ACP|iNJ661:ACP|iJN746:ACP	-1	UNKNOWN	UNKNOWN														
cpd11494	Acetyl-[acyl-carrier protein]|Acetyl-ACP|acetyl-ACP|acetyl-acp	C13H23N2O8PRS	C03939	NOT IN MODEL	iIT341:acACP|iJR904:acACP|iAbaylyiv4:ACETYL-ACP|iAG612:cbs_156|iND750:acACP|iSB619:acACP|iAF1260:acACP|iJN746:acACP	-1	UNKNOWN	UNKNOWN														
cpd11495	2-methylbutanoyl-ACP|2-methylbutyryl-ACP	C16H29N2O8PRS		NOT IN MODEL	iAG612:cbs_99	-1	UNKNOWN	UNKNOWN														
cpd11496	4-methyl-3-oxo-hexanoyl-ACP	C18H31N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11497	4-methyl-3-hydroxy-hexanoyl-ACP	C18H33N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11498	4-methyl-trans-hex-2-enoyl-ACP	C18H31N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11499	4-methyl-hexanoyl-ACP	C18H33N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11500	6-methyl-3-oxo-octanoyl-ACP	C20H35N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11501	6-methyl-3-hydroxy-octanoyl-ACP	C20H37N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11502	6-methyl-trans-oct-2-enoyl-ACP	C20H35N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11503	6-methyl-octanoyl-ACP	C20H37N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11504	8-methyl-3-oxo-decanoyl-ACP	C22H39N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11505	8-methyl-3-hydroxy-decanoyl-ACP	C22H41N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11506	8-methyl-trans-dec-2-enoyl-ACP	C22H39N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11507	8-methyl-decanoyl-ACP	C22H41N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11508	10-methyl-3-oxo-dodecanoyl-ACP	C24H43N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11509	10-methyl-3-hydroxy-dodecanoyl-ACP	C24H45N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11510	10-methyl-trans-dodec-2-enoyl-ACP	C24H43N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11511	10-methyl-dodecanoyl-ACP	C24H45N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11512	12-methyl-3-oxo-tetra-decanoyl-ACP	C26H47N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11513	12-methyl-3-hydroxy-tetra-decanoyl-ACP	C26H49N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11514	12-methyl-trans-tetra-dec-2-enoyl-ACP	C26H47N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11515	12-methyl-tetra-decanoyl-ACP	C26H49N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11516	14-methyl-3-oxo-hexa-decanoyl-ACP	C28H51N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11517	14-methyl-3-hydroxy-hexa-decanoyl-ACP	C28H53N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11518	14-methyl-trans-hexa-dec-2-enoyl-ACP	C28H51N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11519	14-methyl-hexa-decanoyl-ACP	C28H53N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11520	3-methylbutanoyl-ACP|isovaleryl-ACP	C16H29N2O8PRS		NOT IN MODEL	iAG612:cbs_378	-1	UNKNOWN	UNKNOWN														
cpd11521	5-methyl-3-oxo-hexanoyl-ACP	C18H31N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11522	5-methyl-3-hydroxy-hexanoyl-ACP	C18H33N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11523	5-methyl-trans-hex-2-enoyl-ACP	C18H31N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11524	5-methyl-hexanoyl-ACP	C18H33N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11525	7-methyl-3-oxo-octanoyl-ACP	C20H35N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11526	7-methyl-3-hydroxy-octanoyl-ACP	C20H37N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11527	7-methyl-trans-oct-2-enoyl-ACP	C20H35N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11528	7-methyl-octanoyl-ACP	C20H37N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11529	9-methyl-3-oxo-decanoyl-ACP	C22H39N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11530	9-methyl-3-hydroxy-decanoyl-ACP	C22H41N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11531	9-methyl-trans-dec-2-enoyl-ACP	C22H39N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11532	9-methyl-decanoyl-ACP	C22H41N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11533	11-methyl-3-oxo-dodecanoyl-ACP	C24H43N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11534	11-methyl-3-hydroxy-dodecanoyl-ACP	C24H45N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11535	11-methyl-trans-dodec-2-enoyl-ACP	C24H43N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11536	11-methyl-dodecanoyl-ACP	C24H45N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11537	13-methyl-3-oxo-tetra-decanoyl-ACP	C26H47N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11538	13-methyl-3-hydroxy-tetra-decanoyl-ACP	C26H49N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11539	13-methyl-trans-tetra-dec-2-enoyl-ACP	C26H47N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11540	13-methyl-tetra-decanoyl-ACP	C26H49N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11541	15-methyl-3-oxo-hexa-decanoyl-ACP	C28H51N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11542	15-methyl-3-hydroxy-hexa-decanoyl-ACP	C28H53N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11543	15-methyl-trans-hexa-dec-2-enoyl-ACP	C28H51N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11544	15-methyl-hexa-decanoyl-ACP	C28H53N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11545	2-methylpropionyl-ACP|isobutyryl-ACP	C15H27N2O8PRS		NOT IN MODEL	iAG612:cbs_374	-1	UNKNOWN	UNKNOWN														
cpd11546	4-methyl-3-oxo-pentanoyl-ACP	C17H29N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11547	4-methyl-3-hydroxy-pentanoyl-ACP	C17H31N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11548	4-methyl-trans-pent-2-enoyl-ACP	C17H29N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11549	4-methyl-pentanoyl-ACP	C17H31N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11550	6-methyl-3-oxo-heptanoyl-ACP	C19H33N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11551	6-methyl-3-hydroxy-heptanoyl-ACP	C19H35N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11552	6-methyl-trans-hept-2-enoyl-ACP	C19H33N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11553	6-methyl-heptanoyl-ACP	C19H35N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11554	8-methyl-3-oxo-nonanoyl-ACP	C21H37N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11555	8-methyl-3-hydroxy-nonanoyl-ACP	C21H39N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11556	8-methyl-trans-non-2-enoyl-ACP	C21H37N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11557	8-methyl-nonanoyl-ACP	C21H39N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11558	10-methyl-3-oxo-undecanoyl-ACP	C23H41N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11559	10-methyl-3-hydroxy-undecanoyl-ACP	C23H43N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11560	10-methyl-trans-undec-2-enoyl-ACP	C23H41N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11561	10-methyl-undecanoyl-ACP	C23H43N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11562	12-methyl-3-oxo-tridecanoyl-ACP	C25H45N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11563	12-methyl-3-hydroxy-tridecanoyl-ACP	C25H47N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11564	12-methyl-trans-tridec-2-enoyl-ACP	C25H45N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11565	12-methyl-tridecanoyl-ACP	C25H47N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11566	14-methyl-3-oxo-pentadecanoyl-ACP	C27H49N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11567	14-methyl-3-hydroxy-pentadecanoyl-ACP	C27H51N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11568	14-methyl-trans-pentadec-2-enoyl-ACP	C27H49N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11569	14-methyl-pentadecanoyl-ACP	C27H51N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11570	3-Oxooctodecanoyl-ACP	C29H53N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11571	3-Hydroxyoctodecanoyl-ACP	C29H55N2O9PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11572	trans-Octodec-2-enoyl-ACP	C29H53N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11573	Octodecanoyl-ACP	C29H55N2O8PRS		NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd11574	Molybdate	H2MoO4	C06232	mobd	iAF692:mobd|iYO844:mobd|iPS189:mobd|iSB619:mobd|iAF1260:mobd	0	UNKNOWN	UNKNOWN														
cpd11575	MOPS|3-(n-Morpholino)Propanesulfonic Acid	C7H14NO4S		mops	iYO844:mops	-1	-120.67	1.67														
cpd11576	L-methionine R-oxide	C5H11NO3S		metox-R	iYO844:metox-R|iPS189:metox-R	0	UNKNOWN	UNKNOWN														
cpd11577	Lanthionine	C6H10N2O4S		lanth	iYO844:lanth	-2	-139.95	1.08														
cpd11578	hexanesulfonate	C6H13O3S		hexs	iYO844:hexs	-1	-119.30	0.87														
cpd11579	ethanesulfonate|ethane sulfonate	C2H5O3S		eths	iAbaylyiv4:ETHANESULFONATE|iYO844:eths|iAF1260:ethso3|iJN746:ethso3	-1	-125.78	0.75														
cpd11580	Gly-Gln	C7H13N3O4		gly-gln-L	iYO844:gly-gln-L	0	-152.27	1.06														
cpd11581	gly-asn-L	C6H11N3O4		gly-asn-L	iYO844:gly-asn-L	0	-153.89	1.05														
cpd11582	ala-L-Thr-L	C7H14N2O4		ala-L-Thr-L	iYO844:ala-L-Thr-L	0	-155.11	0.86														
cpd11583	Ala-Leu	C9H18N2O3		ala-L-leu-L	iYO844:ala-L-leu-L	0	-113.83	0.82														
cpd11584	Ala-His	C9H14N4O3		ala-L-his-L	iYO844:ala-L-his-L	0	-76.40	1.34														
cpd11585	L-alanylglycine	C5H10N2O3		L-alagly	iYO844:L-alagly|iPS189:L-alagly	0	-118.50	0.72														
cpd11586	ala-L-glu-L	C8H13N2O5		ala-L-glu-L	iYO844:ala-L-glu-L|iPS189:ala-L-glu-L	-1	-194.90	0.80														
cpd11587	Ala-Gln	C8H15N3O4		ala-L-gln-L	iYO844:ala-L-gln-L	0	-152.46	1.08														
cpd11588	gly-pro-L	C7H12N2O3		gly-pro-L	iYO844:gly-pro-L	0	-93.95	1.09														
cpd11589	gly-asp-L	C6H9N2O5		gly-asp-L	iYO844:gly-asp-L	-1	-196.33	0.75														
cpd11590	met-L-ala-L	C8H15N2O3S		met-L-ala-L	iYO844:met-L-ala-L|iPS189:met-L-ala-L	-1	-98.39	1.12														
cpd11591	Gly-Met	C7H14N2O3S		gly-met-L	iYO844:gly-met-L	0	-106.49	1.06														
cpd11592	gly-glu-L	C7H11N2O5		gly-glu-L	iYO844:gly-glu-L	-1	-194.71	0.77														
cpd11593	ala-L-asp-L	C7H11N2O5		ala-L-asp-L	iYO844:ala-L-asp-L	-1	-196.52	0.79														
cpd11594	Dextrin	C36H62O31	C00721	dextrin	iYO844:dextrin	0	-1010.68	9.06														
cpd11595	chromate	H2O4Cr		cro4	iYO844:cro4	5	UNKNOWN	UNKNOWN														
cpd11596	butanesulfonate	C4H9O3S		buts	iYO844:buts|iAF1260:butso3	-1	-122.54	0.79														
cpd11597	ARSENOBETAINE	C5H11O2As		arsenb	iYO844:arsenb	0	UNKNOWN	UNKNOWN														
cpd11598	Antimonite	Sb		antim	iYO844:antim	0	UNKNOWN	UNKNOWN														
cpd11599	3-aminobutanoic acid	C4H9NO2		3amba	iYO844:3amba	0	-86.30	0.31														
cpd11606	Menaquinone 7	C46H64O2		mqn7	iYO844:mqn7|iPS189:mqn7	0	177.97	4.04														
cpd11620	Reduced ferredoxin|Reducedferredoxin	Fe2R4S6	C00138	NOT IN MODEL	iIT341:fdxrd|iNJ661:fdxrd|iSB619:fdxrd	4	UNKNOWN	UNKNOWN														
cpd11621	Oxidized ferredoxin|Oxidizedferredoxin	Fe2R4S6	C00139	NOT IN MODEL	iIT341:fdxox|iNJ661:fdxox|iSB619:fdxox	6	UNKNOWN	UNKNOWN														
cpd11668	Penicillin|Penam	C9H10N2O4RS	C00395	pencil	iYO844:pencil	-1	UNKNOWN	UNKNOWN														
cpd11735	"Amylose|Amylose chain|(1,4-alpha-D-Glucosyl)n|(1,4-alpha-D-Glucosyl)n+1|1,4-alpha-D-Glucan|1,4-alpha-D-glucan|(1,4-alpha-D-glucosyl)(n+1)|(1,4-alpha-D-glucosyl)(n)|(1,4-alpha-D-Glucosyl)n-1|4-{(1,4)-alpha-D-Glucosyl}(n-1)-D-glucose"	C30H52O26	C00718	14glun	iAG612:cbs_5|iYO844:14glun|iND750:14glun|iAF1260:14glucan	0	-852.20	1.54														
cpd11912	tRNA(Glu)|tRNA (Glu)|tRNA-Glu	C10H12N5O3R	C01641	trnaglu	iJR904:trnaglu|iAF692:trnaglu|iSB619:trnaglu|iAF1260:trnaglu|iIT341:trnaglu|iAbaylyiv4:GLT-TRNAS|iND750:trnaglu|iYO844:trnaglu|iPS189:trnaglu|iNJ661:trnaglu|iJN746:trnaglu	0	UNKNOWN	UNKNOWN														
cpd12072	Protein dithiol	C7H11N3O3R2S2	C02315	NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd12115	alpha-L-Arabinan|alpha-L-Araban|Arabinan	C15H26O13	C02474	Larab	iYO844:Larab	0	-425.26	3.97														
cpd12139	Protein disulfide	C7H9N3O3R2S2	C02582	NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd12227	L-Glutamyl-tRNA(Glu)|L-Glutamyl-tRNA-Glu	C15H19N6O6R	C02987	glutrna	iJR904:glutrna|iAF692:glutrna|iSB619:glutrna|iAF1260:glutrna|iIT341:glutrna|iAbaylyiv4:CHARGED-GLT-TRNAS|iND750:glutrna|iYO844:glutrna|iPS189:glutrna|iNJ661:glutrna|iJN746:glutrna	0	UNKNOWN	UNKNOWN														
cpd12370	Apo-[acyl-carrier-protein]|apo-ACP|apoprotein [acyl carrier protein]	HOR	C03688	apoACP	iJR904:apoACP|iAG612:cbs_203|iYO844:apoACP|iNJ661:apoACP|iSB619:apoACP|iAF1260:apoACP	0	UNKNOWN	UNKNOWN														
cpd12543	Carboxybiotin-carboxyl-carrier protein	C18H26N5O6R2S	C04419	NOT IN MODEL		-1	UNKNOWN	UNKNOWN														
cpd12689	3-Oxotetradecanoyl-CoA|3-oxotetradecanoyl-coa	C35H57N7O18P3S	C05261	3otdcoa	iAbaylyiv4:C14:0-3OXOCOA|iYO844:3otdcoa|iND750:3otdcoa|iSB619:3otdcoa|iAF1260:3otdcoa|iJN746:3otdcoa	-3	-796.41	3.83														
cpd12848	Holo-[carboxylase]|Biotin-carboxyl-carrier protein	C17H27N5O4R2S	C06250	NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd12884	Penicilloic acid	C9H11N2O5RS	C06567	pencilca	iYO844:pencilca	-2	UNKNOWN	UNKNOWN														
cpd14553	Heme C	C40H44FeN6O8S2	C15817	hemeC	iYO844:hemeC	-2	UNKNOWN	UNKNOWN														
cpd14698	3-Methyl-1-hydroxybutyl-ThPP|3-Methyl-1-hydroxybutyl-TPP	C17H27N4O8P2S	C15974	NOT IN MODEL		-1	-402.10	2.85														
cpd14699	[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(3-methylbutanoyl)dihydrolipoyllysine|S-(3-Methylbutanoyl)-dihydrolipoamide-E	C13H25NO2S2	C15975	NOT IN MODEL		0	-58.13	1.43														
cpd14700	2-Methyl-1-hydroxypropyl-ThPP|2-Methyl-1-hydroxypropyl-TPP	C16H25N4O8P2S	C15976	NOT IN MODEL		-1	-403.72	2.84														
cpd14702	2-Methyl-1-hydroxybutyl-ThPP|2-Methyl-1-hydroxybutyl-TPP	C17H27N4O8P2S	C15978	NOT IN MODEL		-1	-402.10	2.85														
cpd14703	[Dihydrolipoyllysine-residue (2-methylpropanoyl)transferase] S-(2-methylbutanoyl)dihydrolipoyllysine|S-(2-Methylbutanoyl)-dihydrolipoamide-E	C13H25NO2S2	C15979	NOT IN MODEL		0	-58.13	1.43														
cpd14954	Protein N6-(lipoyl)lysine	C8H14NORS2	C16237	NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd14955	Lipoyl-AMP	C18H25N5O8PS2	C16238	NOT IN MODEL		-1	-268.03	3.49														
cpd14957	Apoprotein	H3NR	C16240	NOT IN MODEL		1	UNKNOWN	UNKNOWN														
cpd15237	hexadecenoate|Hexadecenoate|Hexadecenoate (n-C16:1)|hexadecenoate (n-C16:1)	C16H29O2		hdcea	iJR904:hdcea|iYO844:hdcea|iND750:hdcea|iNJ661:hdcea|iSB619:hdcea|iAF1260:hdcea	-1	-41.71	1.17														
cpd15238	Hexadecenoyl-CoA|Hexadecenoyl-CoA (n-C16:1CoA)	C37H61N7O17P3S		hdcoa	iYO844:hdcoa|iND750:hdcoa|iNJ661:hdcoa|iAF1260:hdcoa	-3	-740.79	3.87														
cpd15269	octadecenoate|octadecenoate (n-C18:1)	C18H33O2		ocdcea	iJR904:ocdcea|iYO844:ocdcea|iND750:ocdcea|iNJ661:ocdcea|iSB619:ocdcea|iAF1260:ocdcea	-1	-38.47	1.33														
cpd15274	Octadecenoyl-CoA|Octadecenoyl-CoA (n-C18:1CoA)	C39H65N7O17P3S		odecoa	iYO844:odecoa|iND750:odecoa|iNJ661:odecoa|iAF1260:odecoa	-3	-739.10	3.95														
cpd15302	glycogen(n-1)|glycogenminusone	C24H42O21		glycogenb	iJR904:glycogenb|iAG612:cbs_351|iAF692:glycogenb|iSB619:glycogenb|iAF1260:glycogenb|iND750:glycogenb|iYO844:glycogenb|iNJ661:glycogenb	0	-693.72	4.53														
cpd15307	"1,2-Diacyl-sn-glycerol ditetradecanoyl"	C31H60O5		NOT IN MODEL	iAF1260:12dgr140	0	-152.20	2.45														
cpd15309	"1,2-Diacyl-sn-glycerol dihexadecanoyl|1,2-Diacyl-sn-glycerol (dihexadecanoyl, n-C16:0)"	C35H68O5		NOT IN MODEL	iNJ661:12dgr160|iAF1260:12dgr160	0	-145.72	2.78														
cpd15311	"1,2-Diacyl-sn-glycerol dioctadecanoyl"	C39H76O5		NOT IN MODEL	iAF1260:12dgr180	0	-139.24	3.12														
cpd15327	1-hexadecanoyl-sn-glycerol 3-phosphate	C19H38O7P		NOT IN MODEL	iNJ661:1hdecg3p|iAF1260:1hdecg3p|iJN746:1hdecg3p	-1	-343.45	1.49														
cpd15329	1-octadecanoyl-sn-glycerol 3-phosphate	C21H42O7P		NOT IN MODEL	iAF1260:1odecg3p|iJN746:1odecg3p	-1	-340.21	1.66														
cpd15331	1-tetradecanoyl-sn-glycerol 3-phosphate	C17H34O7P		NOT IN MODEL	iAF1260:1tdecg3p	-1	-346.69	1.33														
cpd15385	L-alanine-D-glutamate	C8H13N2O5		NOT IN MODEL	iAF1260:LalaDglu	-1	-194.90	0.80														
cpd15388	L-alanine-L-glutamate	C8H13N2O5		NOT IN MODEL	iAF1260:LalaLglu	-1	-194.90	0.80														
cpd15390	N-Acetyl-D-galactosamine 1-phosphate	C8H15NO9P		NOT IN MODEL	iAF1260:acgal1p	-1	-425.13	1.61														
cpd15419	"CDP-1,2-dihexadecanoylglycerol"	C44H79N3O15P2		NOT IN MODEL	iNJ661:cdpdhdecg|iAF1260:cdpdhdecg|iJN746:cdpdhdecg	-2	-637.60	3.47														
cpd15421	"CDP-1,2-dioctadecanoylglycerol"	C48H87N3O15P2		NOT IN MODEL	iNJ661:cdpdodecg|iAF1260:cdpdodecg|iJN746:cdpdodecg	-2	-631.12	3.75														
cpd15423	"CDP-1,2-ditetradecanoylglycerol"	C40H71N3O15P2		NOT IN MODEL	iAF1260:cdpdtdecg	-2	-644.08	3.20														
cpd15471	gamma-butyrobetaine	C7H15NO2		gbbtn	iJR904:gbbtn|iYO844:gbbtn|iAF1260:gbbtn	0	-27.79	1.98														
cpd15522	"1,2-ditetradecanoyl-sn-glycerol 3-phosphate"	C31H60O8P		NOT IN MODEL	iAF1260:pa140	-1	-364.70	2.45														
cpd15524	"1,2-dihexadecanoyl-sn-glycerol 3-phosphate"	C35H68O8P		NOT IN MODEL	iNJ661:pa160|iAF1260:pa160|iJN746:pa160	-1	-358.22	2.78														
cpd15526	"1,2-dioctadecanoyl-sn-glycerol 3-phosphate"	C39H76O8P		NOT IN MODEL	iAF1260:pa180|iJN746:pa180	-1	-351.74	3.12														
cpd15529	phosphatidylethanolamine ditetradecanoyl	C33H66NO8P		NOT IN MODEL	iAF1260:pe140	0	-347.71	2.66														
cpd15531	"phosphatidylethanolamine dihexadecanoyl|phosphatidylethanolamine (dihexadecanoyl, n-C16:0)"	C37H74NO8P		NOT IN MODEL	iNJ661:pe160|iAF1260:pe160|iJN746:pe160	0	-341.23	2.98														
cpd15533	"phosphatidylethanolamine dioctadecanoyl|phosphatidylethanolamine (dioctadecanoyl, n-C18:0)"	C41H82NO8P		NOT IN MODEL	iNJ661:pe180|iAF1260:pe180|iJN746:pe180	0	-334.75	3.32														
cpd15536	Phosphatidylglycerol ditetradecanoyl	C34H66O10P		NOT IN MODEL	iAF1260:pg140	-1	-419.38	2.67														
cpd15538	"Phosphatidylglycerol dihexadecanoyl|Phosphatidylglycerol (dihexadecanoyl, n-C16:0)"	C38H74O10P		NOT IN MODEL	iNJ661:pg160|iAF1260:pg160|iJN746:pg160	-1	-412.90	3.00														
cpd15540	Phosphatidylglycerol dioctadecanoyl	C42H82O10P		NOT IN MODEL	iAF1260:pg180	-1	-406.42	3.33														
cpd15543	Phosphatidylglycerophosphate ditetradecanoyl	C34H66O13P2		NOT IN MODEL	iAF1260:pgp140	-2	-631.88	2.67														
cpd15545	"Phosphatidylglycerophosphate dihexadecanoyl|Phosphatidylglycerophosphate (dihexadecanoyl, n-C16:0)"	C38H74O13P2		NOT IN MODEL	iNJ661:pgp160|iAF1260:pgp160|iJN746:pgp160	-2	-625.40	3.00														
cpd15547	Phosphatidylglycerophosphate dioctadecanoyl	C42H82O13P2		NOT IN MODEL	iAF1260:pgp180	-2	-618.92	3.33														
cpd15553	phosphatidylserine ditetradecanoyl	C34H64NO10P		NOT IN MODEL	iAF1260:ps140	-2	-428.36	2.72														
cpd15555	"phosphatidylserine dihexadecanoyl|phosphatidylserine (dihexadecanoyl, n-C16:0)"	C38H72NO10P		NOT IN MODEL	iNJ661:ps160|iAF1260:ps160|iJN746:ps160	-2	-421.88	3.04														
cpd15557	"phosphatidylserine dioctadecanoyl|phosphatidylserine (dioctadecanoyl, n-C18:0)"	C42H80NO10P		NOT IN MODEL	iNJ661:ps180|iAF1260:ps180|iJN746:ps180	-2	-415.40	3.37														
cpd15584	alpha-Methyl-D-glucoside	C7H14O6		madg	iYO844:madg	0	-203.63	1.56														
cpd15585	beta-Methylglucoside	C7H14O6		mbdg	iYO844:mbdg	0	-203.63	1.56														
cpd15596	Dipicolinate|dipicolinate	C7H3NO4		DPA	iAG612:cbs_51|iYO844:DPA	-2	-119.77	1.48														
cpd15607	Heme D	C34H28FeN4O10		hemeD	iYO844:hemeD	-4	UNKNOWN	UNKNOWN														
cpd15611	hexanal	C6H12O		hxal	iYO844:hxal	0	-27.57	0.40														
cpd15634	"teichuronic acid (GlcA + GalNac, 45 repeating unit)"	C630H945N45O630P45		teich-45_BS	iYO844:teich-45_BS|iPS189:teich-45	-45	UNKNOWN	UNKNOWN														
cpd15661	"45(Phosphoglyceryl)-N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol|Prenol-45n teichoic acid"	C206H386N2O242P47		NOT IN MODEL		-47	-12485.30	25.09														
cpd15662	"45(Glucosyl-phosphoglyceryl)-N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol|Prenol-45n teichoic acid-glucose substituted"	C476H836N2O467P47		NOT IN MODEL		-47	-19616.90	77.10														
cpd15663	"45(Alanyl-phosphoglyceryl)-N-Acetyl-beta-D-mannosaminyl-1,4-N-acetyl-D-glucosaminyldiphosphoundecaprenol|Prenol-45n teichoic acid-alanine substituted"	C341H611N47O287P47		NOT IN MODEL		-47	-13850.20	36.80														
cpd15664	Cell wall of B. subtilis			NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd15665	Peptidoglycan polymer (n subunits)	C80H125N16O42R		NOT IN MODEL		-4	UNKNOWN	UNKNOWN														
cpd15666	Peptidoglycan polymer (n-1 subunits)	C40H63N8O21R		NOT IN MODEL		-2	UNKNOWN	UNKNOWN														
cpd15667	"glycerol teichoic acid (n=45), linked, unsubstituted"	C191H359N10O259P46R		NOT IN MODEL		-48	UNKNOWN	UNKNOWN														
cpd15668	"glycerol teichoic acid (n=45), linked, D-ala substituted"	C326H584N55O304P46R		NOT IN MODEL		-48	UNKNOWN	UNKNOWN														
cpd15669	"glycerol teichoic acid (n=45), linked, glucose substituted"	C461H809N10O484P46R		NOT IN MODEL		-48	UNKNOWN	UNKNOWN														
cpd15670	Lipoteichoic acid content			NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd15671	1-isoheptadecanoyl-sn-glycerol 3-phosphate	C20H40O7P		NOT IN MODEL		-1	-343.64	1.45														
cpd15672	1-anteisoheptadecanoyl-sn-glycerol 3-phosphate	C20H40O7P		NOT IN MODEL		-1	-343.64	1.45														
cpd15673	1-isotetradecanoyl-sn-glycerol 3-phosphate	C17H34O7P		NOT IN MODEL		-1	-348.50	1.21														
cpd15674	1-isopentadecanoyl-sn-glycerol 3-phosphate	C18H36O7P		NOT IN MODEL		-1	-346.88	1.29														
cpd15675	1-anteisopentadecanoyl-sn-glycerol 3-phosphate	C18H36O7P		NOT IN MODEL		-1	-346.88	1.29														
cpd15676	1-isohexadecanoyl-sn-glycerol 3-phosphate	C19H38O7P		NOT IN MODEL		-1	-345.26	1.37														
cpd15677	"1,2-diisoheptadecanoyl-sn-glycerol 3-phosphate"	C37H72O8P		NOT IN MODEL		-1	-358.60	2.68														
cpd15678	"1,2-dianteisoheptadecanoyl-sn-glycerol 3-phosphate"	C37H72O8P		NOT IN MODEL		-1	-358.60	2.68														
cpd15679	"1,2-diisotetradecanoyl-sn-glycerol 3-phosphate"	C31H60O8P		NOT IN MODEL		-1	-368.32	2.21														
cpd15680	"1,2-diisopentadecanoyl-sn-glycerol 3-phosphate"	C33H64O8P		NOT IN MODEL		-1	-365.08	2.36														
cpd15681	"1,2-dianteisopentadecanoyl-sn-glycerol 3-phosphate"	C33H64O8P		NOT IN MODEL		-1	-365.08	2.36														
cpd15682	"1,2-diisohexadecanoyl-sn-glycerol 3-phosphate"	C35H68O8P		NOT IN MODEL		-1	-361.84	2.52														
cpd15683	"CDP-1,2-diisoheptadecanoylglycerol"	C46H83N3O15P2		NOT IN MODEL		-2	-637.98	3.38														
cpd15684	"CDP-1,2-dianteisoheptadecanoylglycerol"	C46H83N3O15P2		NOT IN MODEL		-2	-637.98	3.38														
cpd15685	"CDP-1,2-diisotetradecanoylglycerol"	C40H71N3O15P2		NOT IN MODEL		-2	-647.70	3.01														
cpd15686	"CDP-1,2-diisopentadecanoylglycerol"	C42H75N3O15P2		NOT IN MODEL		-2	-644.46	3.13														
cpd15687	"CDP-1,2-dianteisopentadecanoylglycerol"	C42H75N3O15P2		NOT IN MODEL		-2	-644.46	3.13														
cpd15688	"CDP-1,2-diisohexadecanoylglycerol"	C44H79N3O15P2		NOT IN MODEL		-2	-641.22	3.25														
cpd15689	Diisoheptadecanoylphosphatidylserine	C40H76NO10P		NOT IN MODEL		-2	-422.26	2.94														
cpd15690	Dianteisoheptadecanoylphosphatidylserine	C40H76NO10P		NOT IN MODEL		-2	-422.26	2.94														
cpd15691	Diisotetradecanoylphosphatidylserine	C34H64NO10P		NOT IN MODEL		-2	-431.98	2.48														
cpd15692	Diisopentadecanoylphosphatidylserine	C36H68NO10P		NOT IN MODEL		-2	-428.74	2.63														
cpd15693	Dianteisopentadecanoylphosphatidylserine	C36H68NO10P		NOT IN MODEL		-2	-428.74	2.63														
cpd15694	Diisohexadecanoylphosphatidylserine	C38H72NO10P		NOT IN MODEL		-2	-425.50	2.78														
cpd15695	Diisoheptadecanoylphosphatidylethanolamine	C39H78NO8P		NOT IN MODEL		0	-341.61	2.88														
cpd15696	Dianteisoheptadecanoylphosphatidylethanolamine	C39H78NO8P		NOT IN MODEL		0	-341.61	2.88														
cpd15697	Diisotetradecanoylphosphatidylethanolamine	C33H66NO8P		NOT IN MODEL		0	-351.33	2.40														
cpd15698	Diisopentadecanoylphosphatidylethanolamine	C35H70NO8P		NOT IN MODEL		0	-348.09	2.56														
cpd15699	Dianteisopentadecanoylphosphatidylethanolamine	C35H70NO8P		NOT IN MODEL		0	-348.09	2.56														
cpd15700	Diisohexadecanoylphosphatidylethanolamine	C37H74NO8P		NOT IN MODEL		0	-344.85	2.72														
cpd15701	"1,2-Diisoheptadecanoyl-sn-glycerol"	C37H72O5		NOT IN MODEL		0	-146.10	2.68														
cpd15702	"1,2-Dianteisoheptadecanoyl-sn-glycerol"	C37H72O5		NOT IN MODEL		0	-146.10	2.68														
cpd15703	"1,2-Diisotetradecanoyl-sn-glycerol"	C31H60O5		NOT IN MODEL		0	-155.82	2.20														
cpd15704	"1,2-Diisopentadecanoyl-sn-glycerol"	C33H64O5		NOT IN MODEL		0	-152.58	2.36														
cpd15705	"1,2-Dianteisopentadecanoyl-sn-glycerol"	C33H64O5		NOT IN MODEL		0	-152.58	2.36														
cpd15706	"1,2-Diisohexadecanoyl-sn-glycerol"	C35H68O5		NOT IN MODEL		0	-149.34	2.52														
cpd15707	"Triglucosyl-1,2 dipalmitoylglycerol"	C53H98O20		NOT IN MODEL		0	-621.16	5.48														
cpd15708	"Triglucosyl-1,2 dimyristoylglycerol"	C49H90O20		NOT IN MODEL		0	-627.64	5.31														
cpd15709	"Triglucosyl-1,2 distearoylglycerol"	C57H106O20		NOT IN MODEL		0	-614.68	5.68														
cpd15710	"Triglucosyl-1,2 diisoheptadecanoylglycerol"	C55H102O20		NOT IN MODEL		0	-621.54	5.42														
cpd15711	"Triglucosyl-1,2 dianteisoheptadecanoylglycerol"	C55H102O20		NOT IN MODEL		0	-621.54	5.42														
cpd15712	"Triglucosyl-1,2 diisotetradecanoylglycerol"	C49H90O20		NOT IN MODEL		0	-631.26	5.18														
cpd15713	"Triglucosyl-1,2 diisopentadecanoylglycerol"	C51H94O20		NOT IN MODEL		0	-628.02	5.26														
cpd15714	"Triglucosyl-1,2 dianteisopentadecanoylglycerol"	C51H94O20		NOT IN MODEL		0	-628.02	5.26														
cpd15715	"Triglucosyl-1,2 diisohexadecanoylglycerol"	C53H98O20		NOT IN MODEL		0	-624.78	5.34														
cpd15716	Diisoheptadecanoylphosphatidylglycerophosphate	C40H78O13P2		NOT IN MODEL		-2	-625.78	2.91														
cpd15717	Dianteisoheptadecanoylphosphatidylglycerophosphate	C40H78O13P2		NOT IN MODEL		-2	-625.78	2.91														
cpd15718	Diisotetradecanoylphosphatidylglycerophosphate	C34H66O13P2		NOT IN MODEL		-2	-635.50	2.44														
cpd15719	Diisopentadecanoylphosphatidylglycerophosphate	C36H70O13P2		NOT IN MODEL		-2	-632.26	2.59														
cpd15720	Dianteisopentadecanoylphosphatidylglycerophosphate	C36H70O13P2		NOT IN MODEL		-2	-632.26	2.59														
cpd15721	Diisohexadecanoylphosphatidylglycerophosphate	C38H74O13P2		NOT IN MODEL		-2	-629.02	2.75														
cpd15722	Diisoheptadecanoylphosphatidylglycerol	C40H78O10P		NOT IN MODEL		-1	-413.28	2.91														
cpd15723	Dianteisoheptadecanoylphosphatidylglycerol	C40H78O10P		NOT IN MODEL		-1	-413.28	2.91														
cpd15724	Diisotetradecanoylphosphatidylglycerol	C34H66O10P		NOT IN MODEL		-1	-423.00	2.44														
cpd15725	Diisopentadecanoylphosphatidylglycerol	C36H70O10P		NOT IN MODEL		-1	-419.76	2.60														
cpd15726	Dianteisopentadecanoylphosphatidylglycerol	C36H70O10P		NOT IN MODEL		-1	-419.76	2.60														
cpd15727	Diisohexadecanoylphosphatidylglycerol	C38H74O10P		NOT IN MODEL		-1	-416.52	2.75														
cpd15728	"Diglucosyl-1,2 dipalmitoylglycerol"	C47H88O15		NOT IN MODEL		0	-462.68	4.25														
cpd15729	"Diglucosyl-1,2 dimyristoylglycerol"	C43H80O15		NOT IN MODEL		0	-469.16	4.02														
cpd15730	"Diglucosyl-1,2 distearoylglycerol"	C51H96O15		NOT IN MODEL		0	-456.20	4.49														
cpd15731	"Diglucosyl-1,2 diisoheptadecanoylglycerol"	C49H92O15		NOT IN MODEL		0	-463.06	4.17														
cpd15732	"Diglucosyl-1,2 dianteisoheptadecanoylglycerol"	C49H92O15		NOT IN MODEL		0	-463.06	4.17														
cpd15733	"Diglucosyl-1,2 diisotetradecanoylglycerol"	C43H80O15		NOT IN MODEL		0	-472.78	3.86														
cpd15734	"Diglucosyl-1,2 diisopentadecanoylglycerol"	C45H84O15		NOT IN MODEL		0	-469.54	3.96														
cpd15735	"Diglucosyl-1,2 dianteisopentadecanoylglycerol"	C45H84O15		NOT IN MODEL		0	-469.54	3.96														
cpd15736	"Diglucosyl-1,2 diisohexadecanoylglycerol"	C47H88O15		NOT IN MODEL		0	-466.30	4.06														
cpd15737	"Monoglucosyl-1,2 dipalmitoylglycerol"	C41H78O10		NOT IN MODEL		0	-304.20	3.25														
cpd15738	"Monoglucosyl-1,2 dimyristoylglycerol"	C37H70O10		NOT IN MODEL		0	-310.68	2.97														
cpd15739	"Monoglucosyl-1,2 distearoylglycerol"	C45H86O10		NOT IN MODEL		0	-297.72	3.55														
cpd15740	"Monoglucosyl-1,2 diisoheptadecanoylglycerol"	C43H82O10		NOT IN MODEL		0	-304.58	3.16														
cpd15741	"Monoglucosyl-1,2 dianteisoheptadecanoylglycerol"	C43H82O10		NOT IN MODEL		0	-304.58	3.16														
cpd15742	"Monoglucosyl-1,2 diisotetradecanoylglycerol"	C37H70O10		NOT IN MODEL		0	-314.30	2.76														
cpd15743	"Monoglucosyl-1,2 diisopentadecanoylglycerol"	C39H74O10		NOT IN MODEL		0	-311.06	2.89														
cpd15744	"Monoglucosyl-1,2 dianteisopentadecanoylglycerol"	C39H74O10		NOT IN MODEL		0	-311.06	2.89														
cpd15745	"Monoglucosyl-1,2 diisohexadecanoylglycerol"	C41H78O10		NOT IN MODEL		0	-307.82	3.02														
cpd15746	"Palmitoyllipoteichoic acid (n=24), linked, unsubstituted"	C119H232O135P24		NOT IN MODEL		-24	-6875.00	14.11														
cpd15747	"Myristoyllipoteichoic acid (n=24), linked, unsubstituted"	C115H224O135P24		NOT IN MODEL		-24	-6881.48	13.94														
cpd15748	"Stearoyllipoteichoic acid (n=24), linked, unsubstituted"	C123H240O135P24		NOT IN MODEL		-24	-6868.52	14.29														
cpd15749	"Isoheptadecanoyllipoteichoic acid (n=24), linked, unsubstituted"	C121H236O135P24		NOT IN MODEL		-24	-6875.38	14.11														
cpd15750	"Anteisoheptadecanoyllipoteichoic acid (n=24), linked, unsubstituted"	C121H236O135P24		NOT IN MODEL		-24	-6875.38	14.11														
cpd15751	"Isotetradecanoyllipoteichoic acid (n=24), linked, unsubstituted"	C115H224O135P24		NOT IN MODEL		-24	-6885.10	13.87														
cpd15752	"Isopentadecanoyllipoteichoic acid (n=24), linked, unsubstituted"	C117H228O135P24		NOT IN MODEL		-24	-6881.86	13.95														
cpd15753	"Anteisopentadecanoyllipoteichoic acid (n=24), linked, unsubstituted"	C117H228O135P24		NOT IN MODEL		-24	-6881.86	13.95														
cpd15754	"Isohexadecanoyllipoteichoic acid (n=24), linked, unsubstituted"	C119H232O135P24		NOT IN MODEL		-24	-6878.62	14.03														
cpd15755	"Palmitoyllipoteichoic acid (n=24), linked, glucose substituted"	C263H472O255P24		NOT IN MODEL		-24	-10678.50	42.76														
cpd15756	"Myristoyllipoteichoic acid (n=24), linked, glucose substituted"	C259H464O255P24		NOT IN MODEL		-24	-10685.00	42.69														
cpd15757	"Stearoyllipoteichoic acid (n=24), linked, glucose substituted"	C267H480O255P24		NOT IN MODEL		-24	-10672.00	42.84														
cpd15758	"Isoheptadecanoyllipoteichoic acid (n=24), linked, glucose substituted"	C265H476O255P24		NOT IN MODEL		-24	-10678.90	42.76														
cpd15759	"Anteisoheptadecanoyllipoteichoic acid (n=24), linked, glucose substituted"	C265H476O255P24		NOT IN MODEL		-24	-10678.90	42.76														
cpd15760	"Isotetradecanoyllipoteichoic acid (n=24), linked, glucose substituted"	C259H464O255P24		NOT IN MODEL		-24	-10688.60	42.65														
cpd15761	"Isopentadecanoyllipoteichoic acid (n=24), linked, glucose substituted"	C261H468O255P24		NOT IN MODEL		-24	-10685.40	42.68														
cpd15762	"Anteisopentadecanoyllipoteichoic acid (n=24), linked, glucose substituted"	C261H468O255P24		NOT IN MODEL		-24	-10685.40	42.68														
cpd15763	"Isohexadecanoyllipoteichoic acid (n=24), linked, glucose substituted"	C263H472O255P24		NOT IN MODEL		-24	-10682.10	42.72														
cpd15764	"Palmitoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine"	C311H544N24O255P24		NOT IN MODEL		-24	-10542.90	44.82														
cpd15765	"Myristoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine"	C307H536N24O255P24		NOT IN MODEL		-24	-10549.40	44.75														
cpd15766	"Stearoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine"	C315H552N24O255P24		NOT IN MODEL		-24	-10536.40	44.89														
cpd15767	"Isoheptadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine"	C313H548N24O255P24		NOT IN MODEL		-24	-10543.30	44.82														
cpd15768	"Anteisoheptadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine"	C313H548N24O255P24		NOT IN MODEL		-24	-10543.30	44.82														
cpd15769	"Isotetradecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine"	C307H536N24O255P24		NOT IN MODEL		-24	-10553.00	44.72														
cpd15770	"Isopentadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine"	C309H540N24O255P24		NOT IN MODEL		-24	-10549.80	44.75														
cpd15771	"Anteisopentadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine"	C309H540N24O255P24		NOT IN MODEL		-24	-10549.80	44.75														
cpd15772	"Isohexadecanoyllipoteichoic acid (n=24), linked, N-acetyl-D-glucosamine"	C311H544N24O255P24		NOT IN MODEL		-24	-10546.50	44.79														
cpd15773	"Palmitoyllipoteichoic acid (n=24), linked, D-alanine substituted"	C191H352N24O159P24		NOT IN MODEL		-24	-7602.92	20.42														
cpd15774	"Myristoyllipoteichoic acid (n=24), linked, D-alanine substituted"	C187H342N24O159P24		NOT IN MODEL		-26	-7592.00	20.38														
cpd15775	"Stearoyllipoteichoic acid (n=24), linked, D-alanine substituted"	C195H360N24O159P24		NOT IN MODEL		-24	-7596.44	20.54														
cpd15776	"Isoheptadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted"	C193H356N24O159P24		NOT IN MODEL		-24	-7603.30	20.51														
cpd15777	"Anteisoheptadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted"	C193H356N24O159P24		NOT IN MODEL		-24	-7603.30	20.51														
cpd15778	"Isotetradecanoyllipoteichoic acid (n=24), linked, D-alanine substituted"	C187H344N24O159P24		NOT IN MODEL		-24	-7613.02	20.34														
cpd15779	"Isopentadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted"	C189H348N24O159P24		NOT IN MODEL		-24	-7609.78	20.39														
cpd15780	"Anteisopentadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted"	C189H349N24O159P24		NOT IN MODEL		-23	-7618.07	20.26														
cpd15781	"Isohexadecanoyllipoteichoic acid (n=24), linked, D-alanine substituted"	C191H352N24O159P24		NOT IN MODEL		-24	-7606.54	20.45														
cpd15782	Palmitoyllysylphophatidylglycerol	C44H88N2O11P		NOT IN MODEL		1	-447.64	3.49														
cpd15783	Myristoyllysylphophatidylglycerol	C40H80N2O11P		NOT IN MODEL		1	-454.12	3.18														
cpd15784	Stearoyllysylphophatidylglycerol	C48H96N2O11P		NOT IN MODEL		1	-441.16	3.82														
cpd15785	Isoheptadecanoyllysylphophatidylglycerol	C46H92N2O11P		NOT IN MODEL		1	-448.02	3.41														
cpd15786	Anteisoheptadecanoyllysylphophatidylglycerol	C46H92N2O11P		NOT IN MODEL		1	-448.02	3.41														
cpd15787	Isotetradecanoyllysylphophatidylglycerol	C40H80N2O11P		NOT IN MODEL		1	-457.74	2.96														
cpd15788	Isopentadecanoyllysylphophatidylglycerol	C42H84N2O11P		NOT IN MODEL		1	-454.50	3.11														
cpd15789	Anteisopentadecanoyllysylphophatidylglycerol	C42H84N2O11P		NOT IN MODEL		1	-454.50	3.11														
cpd15790	Isohexadecanoyllysylphophatidylglycerol	C44H88N2O11P		NOT IN MODEL		1	-451.26	3.26														
cpd15791	Palmitoylcardiolipin (B. subtilis)	C73H140O17P2		NOT IN MODEL		-2	-709.62	5.80														
cpd15792	Myristoylcardiolipin (B. subtilis)	C65H124O17P2		NOT IN MODEL		-2	-722.58	5.15														
cpd15793	Stearoylcardiolipin (B. subtilis)	C81H156O17P2		NOT IN MODEL		-2	-696.66	6.47														
cpd15794	Isoheptadecanoylcardiolipin (B. subtilis)	C77H148O17P2		NOT IN MODEL		-2	-710.38	5.61														
cpd15795	Anteisoheptadecanoylcardiolipin (B. subtilis)	C77H148O17P2		NOT IN MODEL		-2	-710.38	5.61														
cpd15796	Isotetradecanoylcardiolipin (B. subtilis)	C65H124O17P2		NOT IN MODEL		-2	-729.82	4.67														
cpd15797	Isopentadecanoylcardiolipin (B. subtilis)	C69H132O17P2		NOT IN MODEL		-2	-723.34	4.98														
cpd15798	Anteisopentadecanoylcardiolipin (B. subtilis)	C69H132O17P2		NOT IN MODEL		-2	-723.34	4.98														
cpd15799	Isohexadecanoylcardiolipin (B. subtilis)	C73H140O17P2		NOT IN MODEL		-2	-716.86	5.29														
cpd15800	Lipid composition of B. subtilis			NOT IN MODEL		0	UNKNOWN	UNKNOWN														
cpd16277	Fructoselysine 6-phosphate	C12H25N2O10P	C16489	NOT IN MODEL		0	-460.26	1.31														
cpd16335	2-Succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate	C14H13O9	C16519	NOT IN MODEL		-3	-281.86	1.33														
cpd16488	Generic lipid content	C20H28O		NOT IN MODEL		0	78.83	2.68														
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
																						
							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